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2018
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[317] A DFT based method for calculating the surface energies of asymmetric MoP facets
Xinxin Tian, Tao Wang, Lifang Fan, Yuekui Wang, Haigang Lu and Yuewen Mu
Applied Surface Science 2018, 427, 357–362. [PDF]
[316] Fluxional Bonds in Planar B19-, Tubular Ta@B20-, and Cage-Like B39-
Miao Yan, Hai-Ru Li, Xiao-Yun Zhao, Xiao-Qin Lu, Yue-Wen Mu, Hai-Gang Lu and Si-Dian Li
Journal of Computational Chemistry 2018, 9999, 1-5. [PDF]
[315] Defect-enriched iron fluoride-oxide nanoporous thin films bifunctional catalyst for water splitting
Xiujun Fan, Yuanyue Liu, Shuai Chen, Jianjian Shi, Juanjuan Wang, Ailing Fan, Wenyan Zan, Sidian Li, William A.Goddard Ⅲ and Xian-Ming Zhang
Nature communications 2018, 9, 1809. [PDF]
[314] A facile approach to improve the electrochemical properties of polyaniline-carbon nanotube composite electrodes for highly flexible solid-state supercapacitors
Hai-han Zhou, Xiao-min Zhi and Hua-Jin Zhai
International Journal of Hydrogen Energy 2018, 43, 18339-18348. [PDF]
[313] Enhanced electrochemical performances of polypyrrole/carboxylgraphene/carbon nanotubes ternary composite for supercapacitors
Hai-han Zhou, Hua-Jin Zhai and Xiao-min Zhi
Electrochimica Acta 2018, 290, 1-11. [PDF]
[312] Boron-based binary Be6B102- cluster: three-layered aromatic sandwich, electronic transmutation, and dynamic structural fluxionality
Lin-Yan Feng, Jin-Chang Guo, Peng-Fei Li and Hua-Jin Zhai
Physical Chemstry Chemical Physics 2018, 20, 22719-22729. [PDF]
[311] On the Nature of Bonding in Synthetic Charged Molecular Alloy [P7ZnP7]4- Cluster and Its Relevant [P7]3- Zintl Ion
Xue-Rui You and Hua-Jin Zhai
ACS Omega 2018, 3, 11958-11965. [PDF]
[310] Nature of Bonding in Bowl-Like B36 Cluster Revisited. Concentric (6 π Plus 18 π) Double Aromaticity and Reason for the Preference of Hexagonal Hole in Central Location
Rui Li, Xue-Rui You, Kang Wang and Hua-Jin Zhai
Chemistry An Asian Journal 2018, 13, 1148-1156. [PDF]
[309] Boosting the electrochemical capacitive properties of polypyrrole using carboxylated graphene oxide as a new dopant
Hai-han Zhou and Hua-Jin Zhai
Journal of Materials Science 2018, 29, 7893-7903. [PDF]
[308] A strategy to boost electrochemical properties of the graphene oxide-poly(3,4-ethylenedioxythiophene) composites for supercapacitor electrodes
Hai-han Zhou, Xiao-min Zhi and Hua-Jin Zhai
Journal of Materials Science 2018, 53, 5216-5228. [PDF]
[307] Ternary CBe4Au4 cluster: a 16-electron system with quasi-planar tetracoordinate carbon
Jin-Chang Guo, Lin-Yan Feng and Hua-Jin Zhai
Physical Chemstry Chemical Physics 2018, 20, 6299-6306. [PDF]
[306] Promoted supercapacitive performances of electrochemically synthesized poly(3,4-ethylenedioxythiophene) incorporated with manganese dioxide
Hai-han Zhou, Xiao-min Zhi and Hua-Jin Zhai
Journal of Materials Science: Materials in Electronics 2018, 29, 3935-3942. [PDF]
[305] Planar Tricyclic B8O8 and B8O8- Clusters: Boron Oxide Analogues of s-Indacene C12H8
Da-Zhi Li, Lin-Yan Feng, Li-Juan Zhang, Ling Pei, Wen-Juan Tian, Peng-Fei Li and Hua-Jin Zhai
The Journal of Physical Chemistry A 2018, 122, 2297-2306. [PDF]
[304] A photoelectron spectroscopy and quantum chemical study on ternary Al–B–O clusters: AlnBO2- and AlnBO2(n=2,3)
Ting Ou, Yuan Feng, Wen-Juan Tian, Li-Juan Zhao, Xiang-Yu Kong, Hong-Guang Xu, Wei-Jun Zheng and Hua-Jin Zhai
Physical Chemstry Chemical Physics 2018, 20, 5200-5209. [PDF]
[303] Star-Like CBe5Au5+ Cluster: Planar Pentacoordinate Carbon, Superalkali Cation, and Multifold (π and σ) Aromaticity
Jin-Chang Guo, Lin-Yan Feng, Xiao-Ying Zhang and Hua-Jin Zhai
The Journal of Physical Chemistry A 2018, 122, 1138-1145. [PDF]
[302] Viable aromatic BenHn stars enclosing a planar hypercoordinate boron or late transition metal
Xue-Feng Zhao, Jia-Jia Li, Hai-Ru Li, Caixia Yuan, Xinxin Tian, Si-Dian Li, Yan-Bo Wu, Jin-Chang Guo and Zhi-Xiang Wang
Physical Chemstry Chemical Physics 2018, 20, 7217-7222. [PDF]
[301] Combining covalent bonding and electrostatic attraction to achieve highly viable species with ultrashort beryllium-beryllium distances: a computational design
Zhen-Zhen Qin, Qiang Wang, Caixia Yuan, Yun-Tao Yang, Xue-Feng Zhao, Debao Li, Ping Liu and Yan-Bo Wu
Dalton Transactions, 2018, 47, 4707-4713. [PDF]
[300] CB3E2q(q=+/-1): a family of "hyparene'' analogues with a planar pentacoordinate carbon
Ping Liu, Jian-Hong Bian, Qiang Wang, Fang Huang, Debao Li and Yan-Bo Wu
Physical Chemstry Chemical Physics 2018, 20, 12642-12649. [PDF]
[299] Origin of ligand effects on reactivities of pincer-Pd catalyzed hydrocarboxylation of allenes and alkenes with formate salts: a computational study
Xiangying Lv, Fang Huang, Yan-Bo Wu and Gang Lu
Catalysis Science Technology 2018,8, 2835-2840. [PDF]
[298] Simulating the effect of a triple bond to achieve the shortest main group metal-metal distance in diberyllium complexes: a computational study
Xue-Feng Zhao, Caixia Yuan, Si-Dian Li, Yan-Bo Wu and Xiaotai Wang
Dalton Transactions 2018, 47, 14462-14467. [PDF]
[297] NiB10, NiB11-, NiB12, and NiB13+: Half-Sandwich Complexes with the Universal Coordination Bonding Pattern of σ Plus π Double Delocalization
Xiao-Yun Zhao, Xue-Mei Luo, Xin-Xin Tian, Hai-Gang Lu and Si-Dian Li
Journal of Cluster Science 2018, DOI:10.1007/s10876-018-1457-4. [PDF]
[296] Cage-like B40C30, B40C40, and B40C50: high-symmetry heterofullerenes isovalent with C60, C70, and C80
Miao Yan, Xin-Xin Tian, Ling Pei and Si-Dian Li
Journal of Molecular Modeling 2018, 24, 296. [PDF]
[295] Charge-induced structural transition between seashell-like B29- and B29+ in 18 p-electron configurations
Ling Pei, Hai-Ru Li, Miao Yan, Qiang Chen, Yue-Wen Mu, Hai-Gang Lu, Yan-Bo Wu and Si-Dian Li
Physical Chemstry Chemical Physics 2018, 20, 15330-15334. [PDF]
[294] Aromatic cage-like B34 and B35+: new axilly chiral members of the borospherene family
Hui Liu，Qiang Chen, Hai-Ru Li, Xiao-Yun Zhao, Xin-Xin Tian, Yue-Wen Mu, Hai-Gang Lu and Si-Dian Li
Physical Chemstry Chemical Physics 2018, 20, 15344-15349. [PDF]
[293] High-symmetry tubular Ta@B183-, Ta2@B18, and Ta2@B27+ as embryos of α-boronanotubes with a transition-metal wire coordinated inside
Hai-Ru Li, Hui Liu, Xiao-Yun Zhao, Ling Pei, Na Chen, Wen-Yan Zan, Hai-Gang Lu, Yue-Kui Wang, Yue-Wen Mu and Si-Dian Li
Physical Chemstry Chemical Physics 2018, 20, 25009-25015. [PDF]
[292] Cage-like Ta@Bnq complexes (n=23-28,q=-1-+3) in 18-electron configurations with the highest coordination number of twenty-eight
Hai-Ru Li, Hui Liu, Xiao-Qin Lu, Wen-Yan Zan, Xin-Xin Tian, Hai-Gang Lu, Yan-Bo Wu, Yue-Wen Mu and Si-Dian Li
Nanoscale 2018, 10, 7451-7456. [PDF]
2017
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[291] Mechanism of coverage dependent CO adsorption and dissociation on the Mo(100) surface
Xinxin Tian, Tao Wang and Haijun Jiao
Physical Chemstry Chemical Physics 2017, 19, 2186-2192. [PDF]
[290] Oxidation of the hexagonal Mo2C(101) surface by H2O dissociative adsorption
Xinxin Tian, Tao Wang and Haijun Jiao
Catalysis Science Technology 2017, 7, 2789-2797. [PDF]
[289] B12Fn-/0(n=1–6) series: when do boron double chain nanoribbons become global minima?
Hui Bai, Bing Bai, Lin Zhang, Wei Huang, Hua-Jin Zhai and Si-Dian Li
Physical Chemstry Chemical Physics 2017, 19, 31655-31665. [PDF]
[288] Dynamic Mg2B8 Cluster: A Nanoscale Compass
Ying-Jin Wang, Lin-Yan Feng, Jin-Chang Guo and Hua-Jin Zhai
Chemistry An Asian Journal 2017, 12, 2899-2903. [PDF]
[287] B33- and B34-: Aromatic Planar Boron Clusters with a Hexagonal Vacancy
Qiang Chen, Wei-Li Li, Xiao-Yun Zhao, Hai-Ru Li, Lin-Yan Feng, Hua-Jin Zhai, Si-Dian Li and Lai-Sheng Wang
European Journal of Inorganic Chemistry 2017, 4546–4551. [PDF]
[286] Wheel-like, elongated, circular, and linear geometries in boron-based CnB7-n(n=0–7) clusters: structural transitions and aromaticity
Lin-Yan Feng and Hua-Jin Zhai
Physical Chemstry Chemical Physics 2017, 19, 24284-24293. [PDF]
[285] An effective approach to prepare three-dimensional porous manganese dioxide electrodes by surfactant assisted electrosynthesis for improved supercapacitive properties
Hai-han Zhou and Hua-Jin Zhai
Journal of Materials Science-Materials in Electronics 2017, DOI: 10.1007/s10854-017-7248-0. [PDF]
[284] Coaxial Triple-Layered versus Helical Be6B11- Clusters: Dual Structural Fluxionality and Multifold Aromaticity
Jin-Chang Guo, Lin-Yan Feng, Ying-Jin Wang, Said Jalife, Alejandro Vsquez-Espinal, José Luis Cabellos, Sudip Pan, Gabriel Merino and Hua-Jin Zhai
Angewandte Chemie International Edition 2017, 56, 10174-10177. [PDF]
[283] Why nanoscale tank treads move? Structures,chemical bonding, and molecular dynamics of adoped boron cluster B10C
Ying-Jin Wang, Jin-Chang Guo and Hua-Jin Zhai
Nanoscale 2017, 9, 9310-9316. [PDF]
[282] Ligand-Stabilized All-Main-Group-Metal Sandwich Complex: Structure, Bonding, and Aromaticity
Xue-Rui You and Hua-Jin Zhai
Journal of Shanxi University 2017, 40, 540-547. [PDF]
[281] Radical Enamination of Vinyl Azides: Direct Synthesis of N-Unprotected Enamines
Yongquan Ning, Xue-Feng Zhao, Yan-Bo Wu and Xihe Bi
Organic Letters, 2017, 19, 6240-6243. [PDF]
[280] Computational exploration of ligand effects in copper-catalyzed boracarboxylation of styrene with CO2
Xiangying Lv, Yan-Bo Wu and Gang Lu
Catalysis Science Technology, 2017, 7, 5049-5054. [PDF]
[279] Computational studies on the Rh-catalyzed carboxylation of a C(sp2)-H bond using CO2
Xiangying Lv, Linhui Zhang, Beibei Sun, Zhi Li, Yan-Bo Wu and Gang Lu
Catalysis Science Technology, 2017, 7, 3539-3545. [PDF]
[278] Heteroborospherene Nin∈B40(n=1-4) and heteroborophene monolayers Ni2∈B14 with planar heptacoordinate transition-metal centers in η7-B7 heptagons
Hai-Ru Li, Xin-Xin Tian, Xue-Mei Luo, Miao Yan, Yue-Wen Mu, Hai-Gang Lu and Si-Dian Li
Scientific reports 2017, 7, 5701. [PDF]
[277] Structural transition in metal-centered boron clusters:from tubular molecular rotors Ta@B21 and Ta@B22+ to cage-like endohedral metalloborospherene Ta@B22-
Hai-Ru Li, Hui Liu, Xin-Xin Tian, Wen-Yan Zan, Yue-Wen Mu, Hai-Gang Lu, Jun Li, Yue-Kui Wang and Si-Dian Li
Physical Chemstry Chemical Physics 2017, 19, 27025-27030. [PDF]
[276] Which Density Functional Should Be Used to Describe Protonated Water Clusters
Ruili Shi, Xiaoming Huang, Yan Su, Hai-Gang Lu, Si-Dian Li, Lingli Tang, and Jijun Zhao
The Journal of Physical Chemistry A 2017, DOI: 10.1021/acs.jpca.7b00058. [PDF]
[275] Planar B38- and B37- clusters with a double-hexagonal vacancy: molecular motifs for borophenes
Qiang Chen, Wen-Juan Tian, Lin-Yan Feng, Hai-Gang Lu, Yue-Wen Mu, Hua-Jin Zhai, Si-Dian Li and Lai-Sheng Wang
Nanoscale 2017, 9, 4550–4557. [PDF]
[274] Cage-like B39+ clusters with the bonding pattern of σ+π double delocalization: new members of the borospherene family
Xiao-Yun Zhao, Qiang Chen, Hai-Ru Li, Yue-Wen Mu, Hai-Gang Lu and Si-Dian Li
Physical Chemistry Chemical Physics 2017, DOI:10.1039/C7CP00725F. [PDF]
[273] B26-: The smallest planar boron cluster with a hexagonal vacancy and a complicated potential landscape
Xue-Mei Luo, Tian Jian, Long-Jiu Cheng, Wan-Lu Li, Qiang Chen, Rui Li, Hua-Jin Zhai, Si-Dian Li, Alexander I. Boldyrev, Jun Li and Lai-Sheng Wang
Chemical Physics Letters 2017, DOI:10.1016/j.cplett.2016.12.051. [PDF]
[272] Observation of a metal-centered B2-Ta@B18 tubular molecular rotor and a perfect Ta@B20 boron drum with the record coordination number of twenty
Wan-Lu Li, Tian Jian, Xin Chen, Hai-Ru Li, Teng-Teng Chen, Xue-Mei Luo, Si-Dian Li, Jun Li and Lai-Sheng Wang
Chemical Communications 2017, 53, 1587–-1590. [PDF]
[271] Chemical Bonding and σ-Aromaticity in Charged Molecular Alloys: [Pd2As14]4- and [Au2Sb14]4- Clusters
Xue-Rui You, Lin-Yan Feng, Rui Li, and Hua-Jin Zhai
Scientific Reports 2017, 7, 791. [PDF]
[270] Pentagonal five-center four-electron π bond in ternary B3N2H5 cluster: an extension of the concept of three-center four-electron ω bond
Da-Zhi Li, Lin-Yan Feng, Ling Pei, Li-Juan Zhang, Shu-Guo Wu and Hua-Jin Zhai
Physical Chemstry Chemical Physics 2017, 19, 2479-2486. [PDF]
[269] A universal mechanism of the planar boron rotors B11-, B13+, B15+ and B19-: inner wheels rotating in pseudo-rotating outer bearings
Yong-Gang Yang, Dong-Ming Jia, Ying-Jin Wang, Hua-Jin Zhai, Yuan Man and Si-Dian Li
Nanoscale 2017, 9, 1443-1448. [PDF]
[268]Zigzag double-chain C–Be nanoribbon featuring planar pentacoordinate carbons and ribbon aromaticity
Jia-Jia Li, Yuewen Mu, Xinxin Tian, Caixia Yuan, Yan-Bo Wu, Qiang Wang, Debao Li, Zhi-Xiang Wang and Si-Dian Li
Journal Materials Chemistry C 2017, 5, 408-414. [PDF]
[267]Silver-Catalyzed Cross-Olefination of Donor and Acceptor Diazo Compounds: Use of N-Nosylhydrazones as Diazo Surrogate
Zhaohong Liu, Binbin Liu, Xue-Feng Zhao, Yan-Bo Wu and Xihe Bi
European Journal of Organic Chemistry 2017, 20, 928-932. [PDF]
[266]Zn(II)-selective and sensitive fluorescent chemosensor based on steric constrains and inhibition of ESIPT
Caixia Yuan, Shiyang Li, Yan-Bo Wu, Liping Lu and Miaoli Zhu
Sensors and Actuators B:Chemical 2017, 242, 1035-1042.[PDF]
2016
[265]In situ fabrication of (Sr, La) FeO4 with CoFe alloy nanoparticles as an independent catalyst layer for direct methane-based solid oxide fuel cells with a nickel cermet anode
Hong Chang, Huili Chen, Zongping Shao, Jing Shi, Jianping Bai and Si-Dian Li
Journal of Materials Chemistry A 2016, 4, 13997-14007. [PDF]
[264] H2S poisoning effect and ways to improve sulfur tolerance of nickel cermet anodes operating on carbonaceous fuels
Huili Chen, Fen Wang, Wei Wang, Daifen Chen, Si-Dian Li and Zongping Shao
Applied Energy, 2016, 179, 765-777.[PDF]
[263] Anodes for Carbon‐Fueled Solid Oxide Fuel Cells
Wei Zhou, Yong Jiao, Si Dian Li and Zongping Shao
ChemElectroChem, 2016, 3, 193-203. [PDF]
[262] Controlled deposition and utilization of carbon on Ni-YSZ anodes of SOFCs operating on dry methane
Yong Jiao, Liqin Zhang, Wenting An, Wei Zhou, Yujing Sha, Zongping Shao, Jianping Bai and Si-Dian Li
Energy, 2016, 113, 432-443. [PDF]
[261]Multiple Dirac cones in BN co-doped β-graphyne
Yuewen Mu and Si-Dian Li
Journal of Materials Chemistry C 2016, 4, 7339-7344. [PDF]
[260]From Quasi-Planar B56 to Penta-Ring Tubular the Embryo of Metal-Doped Boron α-Nanotubes
Wen-Juan Tian, Qiang Chen, Xin-Xin Tian, Yue-Wen Mu, Hai-Gang Lu and Si-Dian Li
Scientific Reports 2016, 6, 37893.[PDF]
[259] "W-X-M" transformations in isomerization of B39- borospherenes
Ting-Ting Gao, Qiang Chen,Yue-Wen Mu, Hai-Gang Lu and Si-Dian Li
Aip Advances 2016, 6, 065110. [PDF]
[258] Lithium-decorated borospherene B40: A promising hydrogen storage medium
Hui Bai, Bing Bai, Lin Zhang, Wei Huang, Yue-Wen Mu, Hua-Jin Zhai and Si-Dian Li
Scientific Reports 2016, 6, 35518.[PDF]
[257] Peculiar all-metal s-aromaticity of the [Au2Sb16]4- anion in the solid state
Ivan A. Popov, Fu-Xing Pan, Xue-Rui You, Lei-Jiao Li, Eduard Matito, Chao Liu, Hua-Jin Zhai, Zhong-Ming Sun and Alexander I. Boldyrev
Angewandte Chemie International Edition 2016, 55, 15344-15346; Angewandte Chemie 2016, 128, 15570-15572. [PDF]
[256] Competition between quasi-planar and cage-like structures in the B29- cluster: photoelectron spectroscopy and ab initio calculations
Hai-Ru Li, Tian Jian, Wei-Li Li, Chang-Qing Miao, Ying-Jin Wang, Qiang Chen, Xue-Mei Luo, Kang Wang, Hua-Jin Zhai, Si-Dian Li and Lai-Sheng Wang
Physical Chemstry Chemical Physics 2016, 18, 29147-29155. [PDF]
[255] Concentric dual p aromaticity in bowl-like B30 cluster: An all-boron analogue of corannulene
Kang Wang, Da-Zhi Li, Rui Li, Lin-Yan Feng, Ying-Jin Wang and Hua-Jin Zhai
Physical Chemstry Chemical Physics 2016, 18, 23304-23311. [PDF]
[254]Planar B3S2H3- and B3S2H3 clusters with a five-membered B3S2 ring: Boron-sulfur hydride analogues of cyclopentadiene
Da-Zhi Li, Rui Li, Li-Juan Zhang, Ting Ou and Hua-Jin Zhai
Physical Chemstry Chemical Physics 2016, 18, 21412-21420.[PDF]
[253] [Sb4Au4Sb4]2-: A designer all-metal aromatic sandwich
Wen-Juan Tian, Jin-Chang Guo, Da-Zhi Li, Xue-Rui You, Ying-Jin Wang, Zhong-Ming Sun and Hua-Jin Zhai
The Journal of Chemical Physics 2016, 145, 044308. [PDF]
[252] Star-like superalkali cations featuring planar pentacoordinate carbon
Jin-Chang Guo, Wen-Juan Tian, Ying-Jin Wang, Xue-Feng Zhao, Yan-Bo Wu, Hua-Jin Zhai and Si-Dian Li
The Journal of Chemical Physics 2016, 145, 244303. [PDF]
[251] Rapid preparation of the hybrid of MnO2 dispersed on graphene nanosheets with enhanced supercapacitive performance
Hai-Han Zhou and Hua-Jin Zhai
Electrochimica Acta 2016, 215, 339-345. [PDF]
[250] A highly flexible solid-state supercapacitor based on the carbon nanotube doped graphene oxide/polypyrrole composites with superior electrochemical performances
Hai-Han Zhou and Hua-Jin Zhai
Organic Electronics 2016, 37, 197-206. [PDF]
[249] Observation and characterization of the smallest borospherene, B28- and B28
Ying-Jin Wang, Ya-Fan Zhao, Wei-Li Li, Tian Jian, Qiang Chen, Xue-Rui You, Ting Ou, Xiao-Yun Zhao, Hua-Jin Zhai, Si-Dian Li, Jun Li and Lai-Sheng Wang
The Journal of Chemical Physics 2016, 144, 064307. [PDF]
[248] Endohedral Ca@B38: Stabilization of a B382- borospherene dianion by metal encapsulation
Qiang Chen, Hai-Ru Li, Chang-Qing Miao, Ying-Jin Wang, Hai-Gang Lu, Yue-Wen Mu, Guang-Min Ren, Hua-Jin Zhai and Si-Dian Li
Physical Chemstry Chemical Physics (Communication) 2016, 18, 11610-11615. [PDF]
[247] Endohedral charge-transfer complex Ca@B37-: Stabilization of a B373- borospherene trianion by metal-encapsulation
Qiang Chen, Hai-Ru Li, Wen-Juan Tian, Hai-Gang Lu, Hua-Jin Zhai and Si-Dian Li
Physical Chemstry Chemical Physics (Communication) 2016, 18, 14186-14190. [PDF]
[246] Saturn-like charge-transfer complexes Li4&B36, Li5&B36+, and Li6&B362+: Exohedral metalloborospherenes with a perfect cage-like B364- core
Wen-Juan Tian, Qiang Chen, Hai-Ru Li, Miao Yan, Yue-Wen Mu, Hai-Gang Lu, Hua-Jin Zhai and Si-Dian Li
Physical Chemstry Chemical Physics (Communication) 2016, 18, 9922-9926. [PDF]
[245] Cage-like B40+: A perfect borospherene monocation
Hai-Ru Li, Qiang Chen, Xin-Xin Tian, Hai-Gang Lu, Hua-Jin Zhai and Si-Dian Li
Journal of Molecular Modeling 2016, 22, 124. [PDF]
[244]Chemical bonding and dynamic fluxionality of a B15+ cluster: A nanoscale double-axle tank tread
Ying-Jin Wang, Xue-Rui You, Qiang Chen, Lin-Yan Feng, Kang Wang, Ting Ou, Xiao-Yun Zhao, Hua-Jin Zhai and Si-Dian Li
Physical Chemstry Chemical Physics 2016, 18, 15774-15782. [PDF]
[243]Structures and chemical bonding of B3O3-/0 and B3O3H-/0: A combined photoelectron spectroscopy and first-principles theory study
Li-Juan Zhao, Wen-Juan Tian, Ting Ou, Hong-Guang Xu, Gang Feng, Xi-Ling Xu, Hua-Jin Zhai, Si-Dian Li and Wei-Jun Zheng
The Journal of Chemical Physics 2016, 144, 124301.[PDF]
[242]On the nature of bonding in binary Be2O2 and Si2O2 clusters: Rhombic four-center four-electron p and s bonds
Kang Wang, Ying-Jin Wang, Da-Zhi Li, Ting Ou, Xiao-Yun Zhao and Hua-Jin Zhai
Physical Chemstry Chemical Physics 2016, 18, 9594-9601. [PDF]
[241]On the nature of chemical bonding in the all-metal aromatic [Sb3Au3Sb3]3- sandwich complex
Xue-Rui You, Wen-Juan Tian, Da-Zhi Li, Ying-Jin Wang, Rui Li, Lin-Yan Feng and Hua-Jin Zhai
Physical Chemstry Chemical Physics 2016, 18, 13423-13431.[PDF]
[240]A niobium-necked cluster [As3Nb(As3Sn3)]3- with aromatic Sn32-
Fu-Xing Pan, Cong-Qiao Xu, Lei-Jiao Li, Xue Min, Jian-Qiang Wang, Jun Li, Hua-Jin Zhai and Zhong-Ming Sun
Dalton Transactions 2016, 45, 3874-3879. [PDF]
[239]Superior performance of highly flexible solid-state supercapacitor based on the ternary composites of graphene oxide supported poly(3,4-ethylenedioxythiophene)-carbon nanotubes
Hai-Han Zhou, Hua-Jin Zhai and Gao-Yi Han
Journal of Power Sources 2016, 323, 125-133. [PDF]
[238]Adjust the electrochemical performances of graphene oxide nanosheets-loaded poly(3,4-ethylenedioxythiophene) composites for supercapacitors with ultralong cycle life
Hai-Han Zhou, Hua-Jin Zhai and Gao-Yi Han
Journal of Materials Science-Materials in Electronics 2016, 27, 2773-2782. [PDF]
[237] Thiazole-based ratiometric fluorescence pH probe with large Stokes shift for intracellular imaging
Wen-Jia Zhang, Li Fan, Zeng-Bo Li, Ting. Ou, Hua-Jin Zhai, Jun Yang, Chuan Dong and Shao-Min Shuang
Sensors and Actuators B: Chemical 2016, 233, 566-573.[PDF]
[236]Ultrashort Beryllium-Beryllium Distances Rivalling Those of Metal-Metal Quintuple Bonds Between Transition Metals
Caixia Yuan, Xue-Feng Zhao, Yan-Bo Wu and Xiaotai Wang
Angewandte Chemie International Edition 2016, 55, 15651-15655. [PDF]
[235]Exploring Mn2+-location-dependent red emission from (Mn/Zn)–Ga–Sn–S supertetrahedral nanoclusters with relatively precise dopant positions
Qian Zhang, Jian Lin, Yun-Tao Yang, Zhen-Zhen Qin, Dongsheng Li, Shuao Wang, Yipu Liu, Xiaoxin Zou, Yan-Bo Wu and Tao Wu
Journal of Materials Chemistry C 2016, 4, 10435-10444. [PDF]
[234]The degree of π electron delocalization and the formation of 3D-extensible sandwich structures
Xiang Wang, Qiang Wang, Caixia Yuan, Xue-Feng Zhao, Jia-Jia Li, Debao Li, Yan-Bo Wu and Xiaotai Wang
Physical Chemstry Chemical Physics 2016, 18, 11942-11950. [PDF]
[233]Linear, Planar, and Tubular Molecular Structures Constructed by Double Planar Tetracoordinate Carbon D2h C2(BeH)4 Species via Hydrogen-Bridged -BeH2Be- Bonds
Xue-Feng Zhao, Haixia Li, Cai-Xia Yuan, Yan-Qin Li, Yan-Bo Wu and Zhi-Xiang Wang
Journal of Computational Chemistry 2016, 37, 261-269. [PDF]
[232]Computational Desian of Organometallic Oligomers Featuring 1,3-Metal-Carbon Bonding and Planar Tetracoordinate Carbon Atoms
Xue-Feng Zhao, Cai-Xia Yuan, Xiang Wang, Jia-Jia Li, Yan-Bo Wu and Xiaotai Wang
Journal of Computational Chemistry 2016, 37, 296-303.[PDF]
[231]Star-like superalkali cations featuring planar pentacoordinate carbon
Jin-Chang Guo, Wen-Juan Tian, Ying-Jin Wang, Xue-Feng Zhao, Yan-Bo Wu, Hua-Jin Zhai and Si-Dian Li
The Journal of Chemical Physics 2016, 144, 244303.[PDF]
[230]A triazole Schiff base-based selective and sensitive fluorescent probe for Zn2+: A combined experimental and theoretical study
Caixia Yuan, Xinyu Liu, Yan-Bo Wu, Liping Lu and Miaoli Zhu
Spectrochim. Acta, Part A 2016, 154, 215-219. [PDF]
[229]N-heterocyclic carbene-stabilized homoatomic lithium(0) complexes with a lithium-lithium covalent bond: A theoretical design and characterization
Caixia Yuan, Yan-Bo Wu, Xiaotai Wang
Inorganic Chemistry Communications 2016, 63, 61-64. [PDF]
2015
[228] Cage-like B41+ and B422+: New chiral members of the borospherene family
Qiang Chen, Su-Yan Zhang, Hui Bai, Wen-Juan Tian, Ting Gao, Hai-Ru Li, Chang-Qing Miao, Yue-Wen Mu, Hai-Gang Lu, Hua-Jin Zhai and Si-Dian Li
Angewandte Chemie International Edition 2015, 54, 8160-8164; Angewandte Chemie 2015, 127, 8278-8282. [PDF]
[227]Endohedral and exohedral metalloborospherenes: M@B40 (M = Ca, Sr) and M&B40 (M = Be, Mg)
Hui Bai, Qiang Chen, Hua-Jin Zhai and Si-Dian Li
Angewandte Chemie International Edition 2015, 54, 941-945; Angewandte Chemie 2015, 127, 955-959. [PDF]
[226]Experimental and theoretical evidence of an axially chiral borospherene
Qiang Chen, Wei-Li Li, Ya-Fan Zhao, Su-Yan Zhang, Han-Shi Hu, Hui Bai, Hai-Ru Li, Wen-Juan Tian, Hai-Gang Lu, Hua-Jin Zhai, Si-Dian Li, Jun Li, and Lai-Sheng Wang
ACS Nano 2015, 9, 754-760. [PDF]
[225]Endohedral C3 Ca@B39+ and C2 Ca@B39+: Axially chiral metalloborospherenes based on B39-
Qiang Chen, Ting Gao, Wen-Juan Tian, Hui Bai, Su-Yan Zhang, Hai-Ru Li, Chang-Qing Miao, Yue-Wen Mu, Hai-Gang Lu, Hua-Jin Zhai and Si-Dian Li
Physical Chemstry Chemical Physics 2015, 17, 19690-19694. [PDF]
[224] B11-: A moving subnanoscale tank tread
Ying-Jin Wang, Xiao-Yun Zhao, Qiang Chen, Hua-Jin Zhai and Si-Dian Li
Nanoscale 2015, 7, 16054-16060. [PDF]
[223]Quantum theory of concerted electronic and nuclear fluxes associated with adiabatic intramolecular processes
Timm Bredtmann, Dennis J Diestler, Si-Dian Li, J?rn Manz, Jhon Fredy Pérez-Torres, Wen-Juan Tian, Yan-Bo Wu, Yong-Gang Yang and Hua-Jin Zhai
Physical Chemstry Chemical Physics 2015, 17, 29421-29464. [PDF]
[222] Planar dicyclic B6S6, B6S6-, and B6S62- clusters: Boron sulfide analogues of naphthalene
Da-Zhi Li, Hui Bai, Ting Ou, Qiang Chen, Hua-Jin Zhai and Si-Dian Li
The Journal of Chemical Physics 2015, 142, 014302. [PDF]
[221]Photoelectron spectroscopy of B4O4-: Dual 3c-4e p hyperbonds and rhombic 4c-4e o-bond in boron oxide clusters
Wen-Juan Tian, Li-Juan Zhao, Qiang Chen, Ting Ou, Hong-Guang Xu, Wei-Jun Zheng, Hua-Jin Zhai and Si-Dian Li
The Journal of Chemical Physics 2015, 142, 134305. [PDF]
[220]On the structure and bonding in B4O4+ cluster: A boron oxide analogue of the 3,5-dehydrophenyl cation with p and s double aromaticity
Ting Ou, Wen-Juan Tian, Xue-Rui You, Ying-Jin Wang, Kang Wang and Hua-Jin Zhai
Physical Chemstry Chemical Physics 2015, 17, 29697-29706.[PDF]
[219] Ternary B2X2H2 (X = O and S) rhombic clusters and their potential use as inorganic ligands in sandwich-type (B2X2H2)2Ni complexes
Da-Zhi Li, Li-Juan Zhang, Ting Ou, Hai-Xia Zhang, Ling Pei, Hua-Jin Zhai and Si-Dian Li
Physical Chemstry Chemical Physics 2015, 17, 16798-16804. [PDF]
[218]“Boronyl as a terminal ligand in boron oxide clusters: Hexagonal ring C2v B6O4 and ethylene-like D2h B6O4-/2-
Wei Wang, Qiang Chen, Ying-Jin Wang, Hui Bai, Ting-Ting Gao, Hai-Ru Li, Hua-Jin Zhai and Si-Dian Li
Physical Chemstry Chemical Physics 2015, 17, 19929-19935. [PDF]
[217]A first-principles study on the B5O5+/0 and B5O5- clusters: The boron oxide analogs of C6H5+/0 and CH3Cl
Wen-Juan Tian, Xue-Rui You, Da-Zhi Li, Ting Ou, Qiang Chen, Hua-Jin Zhai and Si-Dian
The Journal of Chemical Physics 2015, 143, 064303. [PDF]
[216] An all-metal aromatic sandwich complex [Sb3Au3Sb3]3-
Fu-Xing Pan, Lei-Jiao Li, Ying-Jin Wang, Jin-Chang Guo, Hua-Jin Zhai, Li Xu and Zhong-Ming Sun
Journal of the American Chemical Society (Communication) 2015, 137, 10954-10957. [PDF]
[215]A comparative study on long and short carbon nanotubes-incorporated polypyrrole/poly(sodium 4-styrenesulfonate) nanocomposites as high-performance supercapacitor electrodes
Hai-Han Zhou, Gao-Yi Han, Yao-Ming Xiao, Yun-Zhen Chang and Hua-Jin Zhai
Synthetic Metals 2015, 209, 405-411. [PDF]
[214]CBe5Hnn-4(n=2-5):Hydrogen-Stabilized CBe5 Pentagons Containing Planar or Quasi-Planar Pentacoordinate Carbons
Jin-Chang Guo, Guang-Min Ren, Chang-Qing Miao, Wen-Juan Tian, Yan-Bo Wu and Xiaotai Wang
The Journal of Physics Chemical A 2015, 119, 13101-13106. [PDF]
[213]Quantum theory of concerted electronic and nuclear fluxes associated with adiabatic intramolecular processes
Timm Bredtmann, Dennis J. Diestler, Si-Dian Li, Joern Manz, Jhon Fredy Perez-Torres, Wen-Juan Tian, Yan-Bo Wu, Yonggang Yang and Hua-Jin Zhai
Physical Chemstry Chemical Physics 2015, 17, 29421-29464. [PDF]
[212]Structures and spectroscopic properties of three [Ru(OAc)(2mqn)(2)NO] (H2mqn=2-methyl-8-quinolinol) isomers: An experimental and density functional theoretical insight
jianru Wang, Huifen Pan, Jiao Liu, Yan Zhao, Yan-Bo Wu and Hongfei Wang
Journal of Molecular Structure 2015, 1086, 232-238.[PDF]
[211]Effects of thiourea concentration on electrocatalytic performances of nickel sulfide counter electrodes for use in dye-sensitized solar cells
Yaoming Xiao, Chenlu Wang, Gaoyi Han
Materials Research Bulletin 2015, 61, 326-332.[PDF]
[210]Highly stable multi-wall carbon nanotubes@poly(3,4-ethylenedioxythiophene)/poly(styrene sulfonate) core–shell composites with three-dimensional porous nano-network for electrochemical capacitors
Haihan Zhou, Gaoyi Han, Yunzhen Chang, Dongying Fu, Yaoming Xiao
Journal of Power Sources 2015, 274, 229-236.[PDF]
2014
[209]Endohedral and Exohedral Metalloborospherenes: M@B40(M = Ca, Sr) and M&B40(M = Be, Mg)
Hui Bai, Qiang Chen, Hua-Jin Zhai, and Si-Dian Li
Angewandte Chemie International Edition 2014 in press.[PDF]
[208]Experimental and Theoretical Evidence of an Axially Chiral Borospherene
Qiang Chen,Wei-Li Li,Ya-Fan Zhao,Su-Yan Zhang,Han-Shi Hu,Hui Bai,Hai-Ru Li,Wen-Juan Tian,Hai-Gang Lu,Hua-Jin Zhai,Si-Dian Li,Jun Li,and Lai-Sheng Wang
[207]Observation of an all-boron fullerene
Hua-Jin Zhai, Ya-Fan Zhao, Wei-Li Li, Qiang Chen, Hui Bai, Han-Shi Hu, Zachary A. Piazza,Wen-Juan Tian, Hai-Gang Lu, Yan-Bo Wu, Yue-Wen Mu, Guang-Feng Wei, Zhi-Pan Liu, Jun Li, Si-Dian Li, and Lai-Sheng Wang
Nature Chemistry 2014, 6, 727-731.[PDF]
[206]The B35 cluster with a double-hexagonal vacancy: A new and more flexible structural motif for borophene
Wei-Li. Li, Qiang Chen, Wen-Juan Tian, Hui Bai, Ya-Fan Zhao, Han-Shi Hu, Jun Li, Hua-Jin Zhai, Si-Dian Li, and Lai-Sheng Wang
Journal of the American Chemical Society (Communication) 2014, 136, 12257-12260.[PDF]
[205]D3h [A-CE3-A]? (E = Al and Ga, A = Si, Ge, Sn, and Pb): A new class of hexatomic mono-anionic species with trigonal bipyramidal carbon
Yan-Bo Wu, Yan-Qin Li, Hui Bai, Hai-Gang Lu, Si-Dian Li, Hua-Jin Zhai, and Zhi-Xiang Wang
Journal of Chemical Physics 2014, 140, 1043021-6.[PDF]
[204]Boronyl Chemistry: The BO Group as a New Ligand in Gas-Phase Clusters and Synthetic Compounds
Hua-Jin Zhai, Qiang Chen, Hui Bai, Si-Dian Li, and Lai-Sheng Wang
Accounts of Chemical Research 2014, 47, 2435–2445.[PDF]
[203]Quasi-planar aromatic B36 and B36- clusters: all-boron analogues of coronene
Qiang Chen, Guang-Feng Wei, Wen-Juan Tian, Hui Bai, Zhi-Pan Liu, Hua-Jin Zhai, and Si-Dian Li
Physical Chemstry Chemical Physics 2014, 34, 18282-7. [PDF]
[202]Multiwalled Carbon Nanotubes/Polypyrrole/Graphene/Nonwoven Fabric Composites Used as Electrodes of Electrochemical Capacitor
Feifei Liu, Suwen Wang, Gaoyi Han, Ruiqin Liu, Yunzhen Chang, Yaoming Xiao
Journal of Applied Polymer Science 2014, 131, 410231-10.[PDF]
[201]Facile preparation of polypyrrole/graphene oxide nanocomposites with large areal capacitance using electrochemical codeposition for supercapacitors
Haihan Zhou, Gaoyi Han, Yaoming Xiao, Yunzhen Chang, Hua-Jin Zhai
Journal of Power Sources 2014, 263, 259-267.[PDF]
[200]Visible-light enhancement of methylene blue photodegradation by graphitic carbon nitride-titania composites
Dongying Fu, Gaoyi Han, Feifei Liu, Yaoming Xiao, Hongfei Wang, Ruiqin Liu, Cuixian Liu
Materials Science in Semiconductor Processing 2014, 27, 966-974. [PDF]
[199]An all-solid-state perovskite-sensitized solar cell based on the dual function polyaniline as the sensitizer and p-type hole-transporting material
Yaoming Xiao, Gaoyi Han, Yunzhen Chang, Haihan Zhou, Miaoyu Li, Yanping Li
Journal of power Sources 2014, 267, 1-8.[PDF]
[198]Petal-shaped poly(3,4-ethylenedioxythiophene)/sodium dodecyl sulfate-graphene oxide intercalation composites for high-performance electrochemical energy storage
Haihan Zhou, Gaoyi Han, Dongying Fu, Yunzhen Chang, Yaoming Xiao, Hua-Jin Zhai
Journal of Power Sources 2014, 272, 203-210. [PDF]
[197]High performance of Pt-free dye-sensitized solar cells based on two-step electropolymerized polyaniline counter electrodes
Yaoming Xiao, Gaoyi Han, Yanping Li, Miaoyu Li, Yunzhen Chang
Journal of Materials Chemistry 2014, 2, 3452-3460. [PDF]
[196]Low temperature fabrication of high performance p-n junction on Ti foil for use in large-area flexible dye-sensitized solar cells
Yaoming Xiao, Jihua Wu, Jianming Lin, Miaoliang Huang, Leqing Fan, Zhang Lan, Gaoyi Han, Sidian Li
Electrochimica Acta 2014, 117, 1-8. [PDF]
[195]Paper-like N-doped graphene films prepared by hydroxylaminediffusion induced assembly and their ultrahigh-rate capacitive properties
Yunzhen Chang, Gaoyi Han, Dongying Fu, Feifei Liu, Miaoyu Li, Yanping Li, Cuixian Liu
Electrochimica Acta 2014, 115, 461-470. [PDF]
[194]One-pot synthesis of PdBi reduced graphene oxide catalyst under microwave irradiation used for formic acid electrooxidation
Ruiqin Liu, Feifei Liu, Dongying Fu, Yunfei Bai, Gaoyi Han, Yanni Tian, Miaoyu Li, Yaoming Xiao, Yanping Li
Catalysis Communications 2014, 46, 146-149.[PDF]
[193]Larger- scale fabrication of N-doped graphene-fiber mats used in high-performance energy storage
Yunzhen Chang, Gaoyi Han, Dongying Fu, Feifei Liu, Miaoyu Li, Yanping Li
Journal of Power Sources 2014, 252, 113-121.[PDF]
[192]Transparent N-doped graphene films on substrates fabricated by hydroxylamine diffusion induced assembly
Yunzhen Chang,Gaoyi Han, Dongying Fu,Feifei Liu
Materials Letters 2014, 114, 23-26.[PDF]
[191]Co-electrodeposition of MnO2/graphene oxide coating on carbon paper from phosphate buffer and the capacitive properties
Hua Zhao, Feifei Liu, Gaoyi Han, Zhaoyang Liu, Bin Liu, Dongying Fu, Yanping Li, Miaoyu Li
Journal of Solid State Electrochemistry 2014, 18, 553-559.[PDF]
[190]Fabrication of Carbon Nanotubes/Polypyrrole/Carbon Nanotubes/Melamine Foam for Supercapacitor
Feifei Liu, Gaoyi Han, Yunzhen Chang, Dongying Fu, Yanping Li, Miaoyu Li
Journal of Applied Polymer Science 2014, 131, 39779.[PDF]
[189]Significant performance enhancement of yttrium-doped barium cerate proton conductor as electrolyte for solid oxide fuel cells through a Pd ingress-egress approach
Yu Liu, Ran Ran, Sidian Li, Yong Jiao, Moses O.Tade, Zongping Shao
Journal of Power Sources 2014, 257, 308-318.[PDF]
[188]The influence of impurity ions on the permeation and oxygen reduction properties of Ba0.5Sr0.5Co0.8Fe0.2O3-δ perovskite
Yubo Chen, Baoming Qian, Sidian Li, Yong Jiao, Moses O. Tade, Zongping Shao
Journal of Membrane Science 2014, 449, 86-96.[PDF]
[187]Low temperature fabrication of high performance p-n junction on the Ti foil for use in large-area flexible dye-sensitized solar cells
Yaoming Xiao, Jihuai Wu, Jianming Lin, Miaoliang Huang, Leqing Fan, Zhang lan, Gaoyi Han, Sidian Li
Electrochimica Acta 2014, 117, 1-8.[PDF]
[186]Mesoporous carbon nanofibers with large cage-like pores activated by tin dioxide and their use in supercapacitor and catalyst support
Zhaoyang Liu, Dongying Fu, Feifei Liu, Gaoyi Han, Cuixian Liu, Yunzhen Chang, Yaoming Xiao, Miaoyu Li, Sidian Li
Carbon 2014, 70, 295-307.[PDF]
[185]Chemical bonding in electron-deficient boron oxide clusters: core boronyl groups, dual 3c–4e hypervalent bonds, and rhombic 4c–4e bonds
Qiang Chen, Haigang Lu, Hua-Jin Zhai, and Si-Dian Li
Physical Chemstry Chemical Physics 2014, 16, 7274-7279.[PDF]
[184]Photoelectron spectroscopy of lithium and gold alloyed boron oxide clusters: charge transfer complexes, covalent gold, hyperhalogen, and dual three-center four-electron hyperbonds
Wen-Juan Tian, Hong-Guang Xu, Xiang-Yu Kong, Qiang Chen, Wei-Jun Zheng, Hua-Jin Zhai, and Si-Dian Li
Physical Chemistry Chemical Physics 2014, 16, 5129-5136.[PDF]
[183]Theoretical Analysis of the Unusual Vicinal Effects on Electronic Circular Dichroism Spectra of Cobalt(III) Complexes with ED3A-Type and Related Ligands
Yuekui Wang and Chunxia Zhang
Z. Naturforsch. 2014, 69a, 371-384.[PDF]
2013
[182]On the structures and bonding in boron-gold alloy clusters:B6Aun- and B6Aun(n=1-3)
Qiang Chen, Hua-Jin Zhai, Si-Dian Li, and Lai-Sheng Wang
The Journal of Chenical Physics 2013, 138, 084306-9.[PDF]
[181]First-principles investigations on C5O5-/0 and C6O6-/0 oxocarbons
Jin-Chang Guo, Hai-Gang Lu, Si-Dian Li
Computational and Theoretical Chemistry 2013, 1007, 9-14.[PDF]
[180]Binary nature of monolayer boron sheets from ab initio global searches
Haigang Lu, Yuewen Mu, Hui Bai, Qiang Chen, and Si-Dian Li
The Journal of Chemical Physics 2013, 138, 024701-5.[PDF]
[179]Covalent Bonding in Au(BO)2- and Au(BS)2-
Chang-Qing Miao, Hai-Gang Lu, Si-Dian Li
Journal of Cluster Science 2013, 24, 233-241.[PDF]
[178]Seed-mediated synthesis and the photo-degradation activity of ZnO–graphene hybrids excluding the influence of dye adsorption
Dongying Fu, Gaoyi Han, Feifei Yang, Tianwen Zhang, Yunzhen Chang, Feifei Liu
Applied Surface Science 2013, 283, 654– 659. [PDF]
[177]Using hydroxylamine as reducer to prepare N-doped graphene hydrogels used in high-performance energy storage
Yunzhen Chang, Gaoyi Han, Jinping Yuan, Dongying Fu, Feifei Liu, Sidian Li
Journal of Power Sources 2013, 238, 492-500.[PDF]
[176]Porous-reduced graphene oxide for fabricating an amperometricacetylcholinesterase biosensor
Yanping Li, Yunfei Bai, Gaoyi Han, Miaoyu Li
Sensors and Actuators 2013, 185, 706-712. [PDF]
[175]Improved photodegradation activity of TiO2 via decoration with SnS2 nanoparticles
Feifei Yang, Gaoyi Han, Dongying Fu, Yunzhen Chang, Hongfei Wang
Materials Chemistry and Physics 2013, 140, 398-404.[PDF]
[174]Improving the photo-degradation activity of SnS2 under visible light by TiO2 (rutile)
Feifei Yang, Gaoyi Han, Dongying Fu, Zhaoyang Liu
Materials Letters 2013, 99, 24–27. [PDF]
[173]The capacitive properties of amorphous manganese dioxide electrodeposited on different thermally- treated carbon papers
Zhao Hua, Han Gaoyi, Chang Yunzhen, Li Miaoyu, Li Yanping
Electrochemica Acta 2013, 91, 50-57.[PDF]
[172]Combined spectral experiment and theoretical calculation to study the chemosensors of copper and their applications in anion bioimaging
Yutao Yang, Fangjun Huo, Caixia Yin, Yueyin Chu, Jianbin Chao, Yongbin Zhang, Jingjing Zhang, Sidian Li, Haigang Lv, Anmin Zheng, Diansheng Liu
Sensors and Actuators B:Chemical 2013, 177, 1189-1197.[PDF]
[171]Using hydroxylamine as a reducer to prepare N-doped graphene hydrogels used in high-performance energy storage
Yunzhen Chang, Gaoyi Han, Jinping Yuan, Dongying Fu, Feifei Liu, Sidian Li
Journal of Power Sources 2013, 238, 492-500.[PDF]
[170]Thiol-addition reactions and their applications in thiol recognition
Caixia Yin, Fangjun Huo, Jingjing Zhang, Ramon Martnez-Manez, Yutao Yang, Haigang Lu, and Sidian Li
Chemcal Society Reviews 2013, 42, 6032-6049.[PDF]
[169]Three-chain B6n+14 cages as possible precursors for the syntheses of boron fullerenes
Haigang Lu, and Si-Dian Li
The Journal of Chemical Physics 2013, 139, 2243071-5.[PDF]
[168]Planar D2h B26H8, D2h B26H82+, and C2h B26H6:Building Blocks of Stable Boron Sheets with Twin-Hexagonal Holes
Wen-Juan Tian, Hui Bai, Hai-Gang Lu, Yan-Bo Wu, Si-Dian Li
Journal of Cluster Science 2013, 24, 1127-1137.[PDF]
[167]Face-Capping μ3-BO in B6(BO)7-: Boron Oxide Analogue of B6H7- with Rhombic 4c-2e Bonds
Jing-Chang Guo, Hai-Gang Lu, Hua-Jin Zhai, and Si-Dian Li
The Journal of Physical Chemistry A 2013, 117(45), 11587-11591.[PDF]
[166]Pi and sigma double conjugations in boronyl polyboroene nanoribbons: Bn(BO)2- and Bn(BO)2 (n = 5-12)
Hua-Jin Zhai, Qiang Chen, Hui Bai, Hai-Gang Lu, Wei-Li Li, Si-Dian Li, and Lai-Sheng Wang
The Journal of Chenical Physics 2013, 139, 174301-7.[PDF]
[165]M(C6X6Li6)2 (M = Cr, Mo, W; X = O, S): Transition-metal sandwich complexes with π-aromatic C6X6Li6 ligands
Jin-Chang Guo, Hai-Gang Lu, Si-Dian Li
Computational and Theoretical Chemistry 2013, 1018, 95-101.[PDF]
[164]Photoelectron spectroscopy of boron-gold alloy clusters and boron boronyl clusters:B3Aun- and B3(BO)n- (n = 1, 2)
Qiang Chen, Hui Bai, Hua-Jin Zhai, Si-Dian Li, and Lai-Sheng Wang
The Journal of Chemical Physics 2013, 139, 0443081-6.[PDF]
[163]Perfectly planar boronyl boroxine D3h B6O6: A boron oxide analog of boroxine and benzene
Da-Zhi Li, Hui Bai, Qiang Chen, Haigang Lu, Hua-Jin Zhai, and Si-Dian Li
The Journal of Chemical Physics 2013, 138, 2443041-5.[PDF]
[162]Bridging Gold in Electron-Deficient Al2Aun0/- and BAlAun0/- (n = 1?3) Clusters
Wen-Zhi Yao, Bing-Tao Liu, Zhang-Hui Lu, and Si-Dian Li
The Journal of Physical Chemistry A 2013, 117(24), 5178-5183.[PDF]
[161]B30H8, B39H92-, B42H10, B48H10, and B72H12: polycyclic aromatic snub hydroboron clusters analogous to polycyclic aromatic hydrocarbons
Hui Bai, Qiang Chen, Ya-Fan Zhao, Yan-Bo Wu, Hai-Gang Lu, Jun Li, Si-Dian Li
Journal of Molecular Modeling 2013, 1195-1204.[PDF]
[160]Comment on “Two-Dimensional Boron Monolayer Sheets”
Haigang Lu, Yuewen Mu, Si-Dian Li
ACS Nano 2013, 7(2), 879-879.[PDF]
[159]Ribbon aromaticity in double-chain planar BnH22- and Li2BnH2 nanoribbon clusters up to n = 22: lithiated boron dihydride analogues of polyenes
Hui Bai, Qiang Chen, Chang-Qing Miao, Yue-Wen Mu, Yan-Bo Wu, Hai-Gang Lu, Hua-Jin Zhai, Si-Dian Li
Physical Chemistry Chemical Physics 2013, 15, 18872-18880.[PDF]
[158]Photoelectron spectroscopy of aromatic compound clusters of the B12 all-boron benzene: B12Au- and B12(BO)-
Hui Bai, Hua-Jin Zhai, Si-Dian Li, and Lai-Sheng Wang
Physical Chemistry Chemical Physics 2013, 15, 9646-9653.[PDF]
[157]Two-dimensional carbon allotropes from graphene to Graphyne
Haigang Lu, Si-Dian Li
Journal of Materials Chemistry C 2013, 1, 3677-3680. [PDF]
[156]Theoretical Analysis of the Influence of Chelate-Ring Size and Vicinal Effects on Electronic Circular Dichroism Spectra of Cobalt(III) EDDA-Type Complexes
Ai Wang, Yuekui Wang, Jie Jia, Lixia Feng, Chunxia Zhang, and Linlin Liu
The Journal of Physical Chemistry A 2013, 117, 5061?5072. [PDF]
[155]Synthesis of a Novel Cyclodextrin-derived Chiral Stationary Phase with Multiple Urea Linkages and Enantioseparation toward Chiral Osmabenzene Complex
Chun Lin, Wenna Liu, Jun Fan, Yuekui Wang, Shengrun Zheng, Ran Lin, Hui Zhang, and Weiguang Zhang
Journal of Chromatography A 2013, 1283, 68–74. [PDF]
2012
[154]Planar π-aromatic C3hB6H3+and π-antiaromatic C2hB8H2: boron hydride analogues of D3hC3H3+and D2hC4H4
Da-Zhi Li, Hai-Gang Lu, Si-Dian Li
Journal of Molecular Modeling 2012, 18, 3161–3167.[PDF]
[153]Double-chain planar D2hB4H2, C2hB8H2, and C2hB12H2: conjugated aromatic borenes
Da-Zhi Li, Qiang Chen, Yan-Bo Wu, Hai-Gang Lu, and Si-Dian Li
Physical Chemistry Chemical Physics 2012, 14, 14769–14774 .[PDF]
[152]Probing the Low-Lying Electronic States of Cyclobutanetetraone (C4O4) and Its Radical Anion: A Low-Temperature Anion Photoelectron Spectroscopic Approach
Jin-Chang Guo, Gao-Lei Hou, Si-Dian Li, and Xue-Bin Wang.
The Journal of Physical Chemistry Letters 2012, 3, 304?308.[PDF]
[151] Ionic liquid-functionalized graphene for fabricating an amperometric acetylcholinesterase biosensor
Li Yanping, Han Gaoyi
Analyst 2012, 137, 3160-3165.[PDF]
[150] The synthesis and properties of ZnO-graphene nano hybrid for photodegradation of organic pollutant in water
Fu Dongying, Han Gaoyi, Chang Yunzhen, Dong Jianhua
Materials Chemistry and Physics 2012, 132, 673-681.[PDF]
[149] Size-cotrolled synthesis and photocatalytic degradation properties of nano-sized ZnO nanorods
Fu Dongying, Han Gaoyi, Meng Caifeng
Materials Letters 2012, 72, 53-56.[PDF]
[148]Probing the structures and chemical bonding of boron-boronyl clusters using photoelectron spectroscopy and computational chemistry: B4(BO)n- (n = 1–3)
Qiang Chen, Hua-Jin Zhai, Si-Dian Li, and Lai-Sheng Wang
The Journal of Chemical Physics 2012, 137, 0443071-7.[PDF]
[147]D3h CN3Be3+ and CO3Li3+: viable planar hexacoordinate carbon prototypes.
Yan-Bo Wu, Yan Duan, Gang Lu, Hai-Gang Lu, Pin Yang, Paul von Ragué Schleyer, Gabriel Merino, Rafael Islas, Zhi-Xiang Wang
Physical Chemistry Chemical Physics 2012, 14, 14760-14763.[PDF]
[146]Computational design of linear, flat, and tubular nanomolecules using planar tetracoordinate carbon C2Al4 units
Yan-Bo Wu, Zong-Xiao Li, Xiao-Hua Pu, Zhi-Xiang Wang
Computational and Theoretical Chemistry 2012, 992, 78-83.[PDF]
[145]CAl2Be32- and Its Salt Complex LiCAl2Be3-: Anionic Global Minima with Planar Pentacoordinate Carbon
Yan-Bo Wu, Yan Duan, Hai-Gang Lu, Si-Dian Li
The Journal of Physical Chemistry A 2012, 116, 3290-3294.[PDF]
[144]C..π interaction of non-hydrogen bond type
Zhen-Feng Zhang, Hong-Bo Tong, Yan-Bo Wu, Gui-Sheng Zhang
New Journal of Chemistry 2012, 36, 44-47.[PDF]
[143]Direct Observation of Internalization and ROS Generation of Amyloid beta-Peptide in Neuronal Cells at Subcellular Resolution
Jiao Yong,Yang pin
CHEMBIOCHEM 2012, 13, 2335-2338.[PDF]
2011
[142]π-Aromatic B16H6: A Neutral Boron Hydride Analogue of Naphthalene
Qiang Chen, Si-Dian Li
Journal of Cluster Science 2011, 22, 513–523.[PDF]
[141]Stoichiometric and oxygen-rich M2On- and M2On (M = Nb, Ta; n = 5-7) clusters: Molecular models for oxygen radicals diradicals, and superoxides
Hua-Jin Zhai, Xian-Hui Zhang, Wen-Jie Chen, Xin Huang, and Lai-Sheng Wang
Journal of the American Chemical Society 2011, 133, 3085-3094.[PDF]
[140]Perfectly planar concentric p-aromatic B18H3-, B18H4, B18H5+, and B18H62+with [10]annulene character
Qiang Chen, Hui Bai, Jin-Chang Guo, Chang-Qing Miao, and Si-Dian Li
Physical Chemistry Chemical Physics 2011, 13, 20620–20626.[PDF]
[139]Structure-Chiroptical Property Relationship of Kinetically Labile Camphor-Derivative β-diketone Yb(III) Complexes: Do the Adducts Coexist as Diastereomers or Not?
Yiji Lin, Shigang Wan, Fang Zou, Yuekui Wang, and Hui Zhang
New Journal of Chemistry 2011, 35,2584-2590.[PDF]
[138]Structures and magnetic properties of Pdn clusters (n=3-19) doped by Mn atoms
Mu, Yuewen, Han, Yan, Wang, Jinlan, Wan, Jian-guo, Wang, Guanghou,
Physical Review A 2011, 84, 053201.[PDF]
[137]Structures and polarizabilities of medium-sized GanAsm clusters
Mu, Yuewen, Li, Jianrong, Wan, Jian-guo, Song, Fengqi, Wang, Guanghou
Chemical Physics Letters 2011, 511, 97-100. [PDF]
[136]A Density Functional Investigation on C2Aun+ (n=1, 3, 5) and C2Aun (n=2, 4, 6): from Gold Terminals, Gold Bridges, to Gold Triangles
Da-Zhi Li, Si-Dian Li
Journal of Cluster Science 2011 ,22, 331–341.[PDF]
[135]Bn (BO)n2-, CBn-1(BO)n- ,and C2Bn-2 (BO)n (n = 5–12): Cage-like boron oxide clusters analogous to closo-BnHn2-, CBn-1Hn-, and C2Bn-2Hn
Chang-Qing Miao & Si-Dian Li
Science in China Series: Chemistry 2011, 5, 756–761.[PDF]
[134]Graphene-modified carbon fiber mats used to improve the activity and stability of Pt catalyst for methanol electrochemical oxidation
Chang Yunzhen, Han Gaoyi, Li Miaoyu, Gao Fei
Carbon 2011, 49, 5158-5165.[PDF]
[133]Flexible electrodes based on polypyrrole/manganese dioxide/polypropylene fibrous membrane composite for supercapacitor
Jin Ming, Han Gaoyi, Chang Yunzhen, Zhao Hua, Zhang Huanyu
Electrochimica Acta 2011, 56, 9838-9845.[PDF]
[132]Preparation of the flexible polypyrrole/polypropylene composite fibrous film for electrochemical capacitor
Jin Ming, Liu Yanyun, Chang Yunzhen, Fu Dongying, Zhao Hua, Han Gaoyi
Journal of Applied Polymer Science 2011, 3415-3422.[PDF]
[131]Platinum nanoparticles supported on electrospinning-derived carbon fibrous mats by using formaldehyde vapor as reducer for methanol electrooxidation
Miaoyu Li, Yunzhen Chang, Gaoyi Han, Bisheng Yang
Journal of Power Sources 2011, 196, 7973-7978.[PDF]
[130]An Ab Initio Theoretical Investigation on the Geometrical and Electronic Structures of BAun-/0 (n = 1–4) Clusters
Da-Zhi Li, Si-Dian Li
International Journal of Quantum Chemistry 2011, 111, 4418–4424 .[PDF]
[129]Bridging η2-BO in B2 (BO) 3- and B3 (BO) 3-Clusters: Boronyl Analogs of Boranes
Hua-Jin Zhai, Jin-Chang Guo, Si-Dian Li, and Lai-Sheng Wang
CHEMPHYSCHEM 2011, 12, 2549 – 2553.[PDF]
[128]Deciphering the mystery of hexagon holes in an all-boron grapheme a-sheet
Timur R. Galeev, Qiang Chen, Jin-Chang Guo, Hui Bai, Chang-Qing Miao, Hai-Gang Lu, Alina P. Sergeeva, Si-Dian Li, and Alexander I. Boldyrev
Physiccal Chemistry Chemical Physics 2011, 13, 11575–11578. [PDF]
[127]Hydrogenation of B120/-: A Planar-to-Icosahedral Structural Transition in B12Hn0/- (n=1–6) Boron Hydride Clusters
Hui Bai, Si-Dian Li
Journal of Cluster Science 2011, 22, 525–535.[PDF]
[126]Design of Molecular Chains Based on the Planar Tetracoordinate Carbon Unit C2Al4
Yan-Bo Wu, Zong-Xiao Li, Xiao-Hua Pu, Zhi-Xiang Wang
Journal of Physical Chemistry C 2011, 115, 13178-13192.[PDF]
[125]Starlike Aluminum–Carbon Aromatic Species
Yan-Bo Wu, Jin-Liang Jiang, Hai-Gang Lu, Zhi-Xiang Wang
Chemistry A European Journal 2011, 17, 714-719.[PDF]
2010
[124]Carbon-free D3d [E3ME3]2- (E=P, As; M=Ni, Pd, Pt):The Smallest Inorganic Sandwich Complexes with Aromatic η3-P3-and η3-As3-Ligands
Chang-Qing Miao, Qiang Chen, Jin-Chang Guo, and Si-Dian Li
Science in China Series B: Chemistry 2010, 53(4), 940-944.[PDF]
[123]A concentric planar doubly π-aromatic B19- cluster
W. Huang, A. P. Sergeeva, Hua-Jin Zhai, B. B. Averkiev, Lai-Sheng Wang, and A. I. Boldyrev
Nature Chemistry 2010, 2, 202-206.[PDF]
[122]Probing the interactions of O2 with small gold cluster anions (Aun-, n = 1-7): Chemisorption vs physisorption
Wei Huang, Hua-Jin Zhai, and Lai-Sheng Wang
Journal of the American Chemical Society 2010, 132, 4344-4351.[PDF]
[121]On the analogy of B-BO and B-Au chemical bonding in the B11O- and B10Au- clusters
Hua-Jin Zhai, Chang-Qing Miao, Si-Dian Li, and Lai-Sheng Wang
The Journal of Physical Chemistry: A 2010, 114, 12155-12161.[PDF]
[120]Bridging Gold: B-Au-B Three-Center-Two-Electron Bonds in Electron-Deficient B2Aun -/0 (n = 1, 3, 5) and Mixed Analogues
Wen-Zhi Yao Da-Zhi Li, and Si-Dian Li
Journal of Computational Chemistry 2010, 32, 218-225. [PDF]
[119]D∞h B2(BS)2 -/2/-and Td B(BS)4-: Boron Sulfide Clusters Containing BB Multiple Bonds andB- Tetrahedral Centers
Wen-Zhi Yao, Jin-Chang Guo, Hai-Gang Lu and Si-Dian Li
International Journal of Quantum Chemistry 2010, 110, 2689–2696.[PDF]
[118]A Bifunctional Strategy Towards Experimentally (Synthetically) Attainable Molecules with Planar Tetracoordinate Carbons
Yan-Bo Wu, Jin-Liang Jiang, Hua Li, Zhong-Fang Chen, Zhi-Xiang Wang
Physical Chemistry Chemical Physics 2010, 12, 58-61.[PDF]
[117]Compuationally Designed Families of Flat, Tubular, and Cage Molecules Assembled with "Starbenzene" Building Blocks via Hydrogen Bridge Bonds
Yan-Bo Wu, Jin-Liang Jiang, Ren-Wu Zhang, Zhi-Xiang Wang
Chemistry A European Journal 2010, 16, 1271-1280.[PDF]
[116]Hydration and coordination of K+ solvation in water from ab initio molecular-dynamics simulation
Yi Liu, Hai-gang Lu, Yan-bo Wu, Tuo-ping Hu, and Qiao-ling Li
The Journal of Chemical Physics 2010, 132, 124503-124506.[PDF]
[115]The catalysts supported on metallized electrospun polyacrylonitrile fibrous mats for methanol oxidation
Xiaomin Liu, Miaoyu Li, Gaoyi Han, Jianhua Dong
Electrochimica Acta 2010, 55, 2983-2990.[PDF]
[114]Fabrication of copper sulfide microstructures with the bottle- and thorny rod-shape
Shizhen Zhao, Gaoyi Han, Miaoyu Li
Materials Chemistry and Physics 2010, 120, 431-437.[PDF]
[113]Deposition of the fractal-like gold particles onto electrospun polymethylmethacrylate fibrous mats and their application in surface-enhanced Raman scattering
Bin Guo, Gaoyi Han, Miaoyu Li, Shizhen Zhao
Thin Solid Films 2010, 518，3228-3233.[PDF]
[112]Planar Tetracoordinate Carbon Atoms in M4C Square Sheets(M = Ni, Pd, and Pt) Sandwiched between the Large π-Coordinating Ligands[C8H8]2– and [C9H9]-
Jin Chang Guo, Si Dian Li
European Journal of Inorganic Chemistry 2010, 5156-5160.[PDF]
2009
[111]Theoretical Analysis of the Individual Contributions of Chiral Arrays to the Chiroptical Properties of Tris-diamine Ruthenium Chelates.
Yan Wang, Yuekui Wang, Jianming Wang, Yan Liu, and Yitao Yang
Journal of the American Chemical Society 2009, 131, 8839–8847.[PDF]
[110]Simplest Neutral Singlet C2E4(E=Al, Ga, In, and Tl) Global Minima with Double Planar Tetracoordinate Carbons:Equivalence of C2 Moieties in C2E4 to Carbon Centers in CAl42- and CAl5+
Yan-Bo Wu , Hai-Gang Lu, Si-Dian Li, and Zhi-Xiang Wang
Journal of Physical Chemistry: A 2009, 113, 3395-3402.[PDF]
[109]M@B9 and M@B10 Molecular Wheels Containing Planar Nona- and Deca-coordinate Heavy Group 11, 12, and 13 Metals (M=Ag, Au, Cd, Hg, In, Tl)
Chang-Qing Miao, Jin-Chang Guo, and Si-Dian Li
Science in China Series B: Chemistry 2009, 52(7), 900-904.[PDF]
[108]Planar or Quasi-planar Octa- and Ennea-coordinate Aluminum and Gallium in Boron Rings
Jin-Chang Guo, Wen-Zhi Yao, Zhuo Li, and Si-Dian Li
Science in China Series B: Chemistry 2009, 52(5), 566-570.[PDF]
[107]Td B(BO)4-: A Tetrahedral Boron Oxide Cluster Analogous to Boron Hydride Td BH4-
Wen-Zhi Yao, Jin-Chang Guo, Hai-Gang Lu, and Si-Dian Li
Journal of Physical Chemistry: A 2009, 113(11), 2561-2564.[PDF]
[106]Synthesis of CuAlO2 nanofibrous mats by electrospinning
Shizhen Zhao, Miaoyu Li, Xiaomin Liu, Gaoyi Han
Materials Chemistry and Physics 2009, 116, 615-618.[PDF]
[105]Electrospinning-derived carbon fibrous mats improving the performance of commercial Pt/C for methanol oxidation
Miaoyu Li, Shizhen Zhao, Gaoyi Han, Binsheng Yang
Journal of Power Sources 2009, 191, 351-356. [PDF]
[104]Gel combustion synthesis and luminescence properties of nanoparticles of monoclinic SrAl2O4: Eu2 ,Dy3
Ruixi Zhang, Gaoyi Han, Liwei Zhang, Binsheng Yang
Materials Chemistry and Physics 2009, 113, 255–259. [PDF]
[103]Simplest Neutral Singlet C2E4 (E = Al, Ga, In, and Tl) Global Minima with Double Planar Tetracoordinate Carbons: Equivalence of C2 Moieties in C2E4 to Carbon Centers in CAl42- and CAl5+
Yan-Bo Wu, Hai-Gang Lu, Si-Dian Li, Zhi-Xiang Wang
Journal of Physical Chemistry 2009, 113, 3395-3402.[PDF]
2008
[102]B2(BO)22- -Diboronyl Diborene: A Linear Molecule with a Triple Boron-Boron Bond
Si-Dian Li, Hua-Jin Zhai, and Lai-Sheng Wang
Journal of the American Chemical Society 2008, 130, 2573-2579.[PDF]
[101]Probing the electronic structure and chemical bonding of gold oxides and sulfides in AuOn- and AuSn- (n = 1, 2)
Hua-Jin Zhai, C. Burgel, V. Bonacic-Koutecky, and Lai-Sheng Wang
Journal of the American Chemical Society 2008, 130, 9156-9167.[PDF]
[100]Probing the electronic and structural properties of chromium oxide clusters (CrO3)n- and (CrO3)n(n = 1-5): Photoelectron spectroscopy and density functional calculations
Hua-Jin Zhai, Sheng-Gang Li, D. A. Dixon, and Lai-Sheng Wang
Journal of the American Chemical Society 2008, 130, 5167-5177. [PDF]
[99]A photoelectron spectroscopic and theoretical study of B16- and B162-: An all-boron naphthalene
A. P. Sergeeva, D. Yu. Zubarev, Hua-Jin Zhai, A. I. Boldyrev, and Lai-Sheng Wang
Journal of the American Chemical Society (Communication) 2008, 130, 7244-7246.[PDF]
[98][Ta3O3]A (A = Li, Na, K) and[Ta3O3]B[Ta3O3] (B = Ca, Sr, Ba): Sandwich-Type Complexes Containing Ta3O3- σand π Double Aromatic Ligands
Si-Dian Li, Chang-Qing Miao, and Jin-Chang Guo
European Journal of Inorganic Chemistry 2008, 8, 1205-1209.[PDF]
[97]Hydrogen-bond network and local structure of liquid water: An atoms-in-molecules perspective
Hai-gang Lu, Yue-kui Wang, Yan-bo Wu, Pin Yang, Le-min Li, and Si-dian Li
The Journal of Chemical Physics 2008, 129, 124512-124515 .[PDF]
[96] Geometries,Electronic Structures,and Electron Detachment Energies of Small Boron Sulfide Anions:A Density Functional Theory Investigation.
GUO QiaoLing, GUO JinChang, LI SiDian
结构化学（JIEGOU HUAXUE） 2008, 6, 1-658. [PDF]
[95]Fabrication of the Catalytic Electrodes for Methanol Oxidation on Electrospinning-Derived Carbon Fibrous Mats
Li Miaoyu, Han Gaoyi, Yang Binsheng
Electrochemistry Communications 2008, 10, 880–883. [PDF]
[94]Continuous thin gold films electroless deposited on fibrous mats of polyacrylonitrile and their electrocatalytic activity towards the oxidation of methanol
Bin Guo, Shizhen Zhao, Gaoyi Han, Liwei Zhang
Electrochimica Acta 2008, 53, 5174–5179.[PDF]
[93]Fabrication of the silver /polypyrrole/ polyacrylonitrile composite nanofibrous mats
Rui Chen, Shizhen Zhao, Gaoyi Han, Jianhua Dong
Materials Letters 2008, 62, 4031-4034.[PDF]
[92]Metallization of Electrospun Polyacrylonitrile Fibers by Gold
Shizhen Zhao, Bin Guo, Gaoyi Han Yanni Tian
Materials Letters 2008, 62, 3751-3753.[PDF]
[91环丙沙星-聚羟基丁酸酯电纺纤维毡的制备、性质及抑菌活性研究
李梅，韩高义，张立伟
化学研究与应用 2008, 20, 475-478.[PDF]
2007
[90]Boronyls as Key Structural Units in Boron Oxide Clusters: B(BO)2- and B(BO)3-
Hua-Jin Zhai, Si-Dian Li, and Lai-Sheng Wang
Journal of the American Chemical Society 2007, 129, 9254-9255.[PDF]
[89]Probing the electronic structure of early transition metal oxide clusters: Polyhedral cages of (V2O5)n- (n = 2-4) and (M2O5)2- (M = Nb, Ta)
Hua-Jin Zhai, J. D?bler, J. Sauer, and Lai-Sheng Wang
Journal of the American Chemical Society 2007, 129, 13270-13276.[PDF]
[88]Probing the electronic structure and band gap evolution of titanium oxide clusters (TiO2)n- (n = 1-10) using photoelectron spectroscopy
Hua-Jin Zhai, and Lai-Sheng Wang
Journal of the American Chemical Society 2007, 129, 3022-3026.[PDF]
[87]Doping golden buckyballs: Cu@Au16- and Cu@Au17- cluster anions
Lei-Ming Wang, S. Bulusu, Hua-Jin Zhai, Xiao-Cheng Zeng, and Lai-Sheng Wang
Angewandte Chemie International Edition 2007, 46, 2915-2918 .[PDF]
[86]δ-Aromaticity in Ta3O3-
Hua-Jin Zhai, B. B. Averkiev, D. Yu. Zubarev, Lai-Sheng Wang, and A. I. Boldyrev
Angewandte Chemie International Edition 2007, 46, 4277-4280.[PDF]
[85]Vibrationally-Resolved Photoelectron Spectroscopy of BO- and BO2-: A Joint Experimental and Theoretical Study
Hua-Jin Zhai, Lei-Ming Wang, Si-Dian Li, and Lai-Sheng Wang
Jounal of Physical Chemistry: A 2007, 111, 1030-1035.[PDF]
[84]Tetradecker Transition Metal Complexes Containing Double Planar Hexacoordinate Carbons and Double Planar Heptacoordinate Borons
Si-Dian Li, Chang-Qing Miao, and Jin-Chang Guo
Journal of Physical Chemistry:A 2007, 111, 12069-12071.[PDF]
[83]Density Functional Theory Investigations on Boronyl-substituted Ethylenes C2H4-m(BO)m (m = 1–4) and AcetylenesC2H2-m(BO)m (m = 1, 2)
Si-Dian Li, Jin-Chang Miao, and Guang-Ming Ren
Journal of Molecular Structure: Theochem 2007, 82, 153–159.[PDF]
[82]Hydrometal complexes with more than one planar and quasi-planar tetracoordinate carbon atom: From hydrogen-surrounded pieces to the rudiment of hydrogen-sealed nanotubes
Yan-Bo Wu, Cai-Xia Yuan, Fei Gao, Hai-Gang Lu, Jin-Chang Guo, Si-Dian Li, Yue-Kui Wang, Pin Yang
Organometallics 2007, 26, 4395-4401.[PDF]
[81]Metal-amyloid-beta peptide interactions: a preliminary investigation of molecular mechanisms for Alzheimer's disease
Jiao Yong, Yang Pin
Science In China Series B-Chemistry 2007, 50, 453-467.[PDF]
[80]Molecular dynamics studies of the inhibitory mechanism of copper(II) on aggregation of amyloid beta-peptide
Jiao Yong, Yang Pin
Chinese Chemical Letters 2007, 18, 357-360.[PDF]
[79]Molecular modeling of the ion channel-like nanotube structure of amyloid β-peptide
Jiao Yong, Yang Pin
2007, 52, 1576-1580.[PDF]
[78]Mechanism of Copper(II) Inhibiting Alzheimer’s Amyloid beta-Peptide from Aggregation:A Molecular Dynamics Investigation
Jiao Yong, Yang Pin
Journal of Physical Chemistry: B 2007, 111, 7646-7655.[PDF]
[77]Porous polypyrrole/polymethylmethacrylate composite film prepared by vapor deposition polymerization of pyrrole and its application for ammonia detection
Gaoyi Han, Gaoquan Shi
Thin Solid Films 2007, 515, 6986-6991.[PDF]
[76]Novel route to pure and composite fibers of polypyrrole
Gaoyi Han, Gaoquan Shi
Journal of Applied Polymer Science 2007, 103, 1490-1494.[PDF]
[75]含平面配位碳的过渡金属烃配合物MnHnC密度泛函理论研究
李思殿，郭巧凌，苗常青，任光明
物理化学学报 2007, 23(5)，743-745.[PDF]
[74]含有平面六配位碳的第二及的三过渡系金属夹心配合物密度泛函理论研究
李思殿，任光明，苗常青，李栋东
高等学校化学学报 2007，28（1），129-131.[PDF]
2006
[73]Triple-Decker Transition-Metal Complexes (CnHn)M(B6C)M(CnHn) (M = Fe,Ru, Mn, Re; n = 5, 6) Containing Planar Hexacoordinate Carbon Atoms
Si-Dian Li, Chang-Qing Miao, Guang-Ming Ren, and Jin-Chang Guo
European Journal of Inorganic Chemistry 2006, 13, 2567–2571.[PDF]
[72]Experimental and theoretical characterization of superoxide complexes W2O6(O2-) and W3O9(O2-): Models for the interaction of O2 with reduced W sites on tungsten oxide surfaces
Xin Huang, Hua-Jin Zhai, T. Waters, Jun Li, and Lai-Sheng Wang
Angewandte Chemie International Edition 2006, 45, 657-660.[PDF]
[71]All-boron aromatic clusters as potential new inorganic ligands and building blocks in chemistry
A. N. Alexandrova, A. I. Boldyrev, Hua-Jin Zhai, and Lai-Sheng Wang
Coordination Chemistry Reviews 2006, 250, 2811-2866.[PDF]
[70]Transition Metal–Boron Complexes BnM:From Bowls (n = 8–14) to Tires (n =14)
Si-Dian Li, Chang-Qing Miao, Jin-Chang Guo, and Guang-Ming Ren
Journal of Computational Chemistry 2006, 27, 1858-1865.[PDF]
[69]Sandwich-Type Transition Metal Complexes [(CBO)n]2M with Carbon Boronyl Ligands (CBO)n (n=4-6), REN GuangMing
Si-Dian Li, and Chang-Qing Miao
Journal of Molecular Structures: Theochem 2006, 770, 193-197.[PDF]
[68]The C6B122- complex: A beautiful molecular wheel containing a ring of six planar tetracoordinate carbon atoms
Yan-Bo Wu, Cai-Xia Yuan, Pin Yang
Journal of Molecular Structure:Theochem 2006, 765, 35-38.[PDF]
[67]Molecular modeling on the recognition of DNA sequence and conformational repair of sheared DNA by novel chiral metal complex D,L-[Co(phen)2hpip]3+
Yan-Bo Wu, Cui-Ping Zhang, Pin Yang
2006, 49, 177-185.[PDF]
[66]Atomic orbitals in molecules: general electronegativity and improvement of Mulliken population analysis
Haigang Lu, Dadi Dai, Pin Yang, and Lemin Li
Physical Chemistry Chemical Physics 2006, 8, 340-346.[PDF]
[65]Binsheng Yang, Conductive Gold Films Assembled on Electrospun Poly (methyl methacrylate) Fibrous Mat
Gaoyi Han, Bin Guo, Liwei Zhang
Advanced materials 2006, 18, 1709-1712.[PDF]
[64]Electrochemical actuator based on single-layer polypyrrole film
Goyi Han, Gaoquan Shi
Sensors and Actuators B 2006, 113, 259–264. [PDF]
2005
[63][(η6-B6X)2M] (X=C, N; M=Mn, Fe, Co, Ni):A New Class of Transition-Metal Sandwich-Type Complexes
Si-Dian Li, Jin-Chang Guo, Chang-Qing Miao, and Guang-Ming Ren
Angewandte Chemie International Edition 2005, 44, 2158-2161.[PDF]
[62]Unique CO chemisorption properties of gold hexamer: Au6(CO)n- (n = 0-3)
Hua-Jin Zhai, B. Kiran, B. Dai, Jun Li, and Lai-Sheng Wang
Journal of the American Chemical Society 2005, 127, 12098-12106. [PDF]
[61]Observation of d-orbital aromaticity
Xin Huang, Hua-Jin Zhai, B. Kiran, and Lai-Sheng Wang
Angewandte Chemie International Edition 2005, 44,7251-7254. [PDF]
[60]M5H5X (M =Ag, Au, Pd, Pt ; X=Si, Ge, P, S): Hydrometal Pentagons with D5hPlanar Pentacoordinate Nonmetal Centers
Si-Dian Li, and Chang-Qing Miao
The Journal of Physical Chemistry A 2005, 109, 7594-7597.[PDF]
[59]C2h(BnESi)2H2 Molecules (E= B, C, Si; =3-6; m=1, 2) Containing Double Planar Tetra-, Penta-, and Hexacoordinate Silicons
Si-Dian Li, Jin-Chang Guo, Chang-Qing Miao, and Guang-Ming Ren
The Journal of Physical Chemistry A 2005, 109, 4133-4136.[PDF]
[58]Carbon Boronyls: Species with Higher Viable Possibility Than Boron Carbonyls at the Density Functional Theory
Si-Dian Li, Chang-Qing Miao, Jin-Chang Guo, and Guang-Ming Ren
Journal of Computational Chemistry 2005, 26(8), 799-802.[PDF]
[57](M4H3X)2B2O2: Hydrometal Complexes (M=Ni, Mg) Containing Double Tetracoordinate Planar Nonmetal Centers (X=C, N)
Si-Dian Li, Guang-Ming Ren, and Chang-Qing Ren
The Journal of Physical Chemistry A 2005, 109, 259-261.[PDF]
[56]From the cover: Planar-to-tubular structural transition in boron clusters: B20 as the embryo of single-walled boron nanotubes
B. Kiran, S. Bulusu, Hua-Jin Zhai, S. Yoo, Xiao-Cheng Zeng, and Lai-Sheng Wang
Proceedings of the National Academy of Sciences of the United States of America 2005, 102, 961-964.[PDF]
[55][Co(phen)2dpq]3+-sheared DNA interactions: Investigation into the basis for major groove recognition and repair
Yan-Bo Wu, Zhen-Hai Xiong, Hui-Li Chen, Pin Yang
Journal of Molecular Structure:Theochem 2005, 806, 247-252.[PDF]
[54]Electrodeposition of polypyrrole/multiwalled carbon nanotube，composite films
Gaoyi Han, Jinying Yuan, Gaoquan Shi, Fei Wei
Thin Solid Films 2005, 474, 64– 69. [PDF]
2004
[53]M4H4X：Hydrometals (M=Cu, Ni) Containing Tetracoordinated Planar Nonmetals (X=B,C,N,O)
Si-Dian Li, Guang-Ming Ren, Chang-Qing Miao, and Zhi-Hao Jin
Angewandte Chemie International Edition 2004, 43, 1371-1373.[PDF]
[52]Planar Tetra-, Penta-, Hexa-, Hepta-, and Octacoordinate Silicons: A Universal Structural Pattern
Si-Dian Li, Chang-Qing Miao, Jin-Chang Guo, and Guang-Ming Ren
Journal of American Chemical Society 2004, 126, 16227-16231.[PDF]
[51]The electronic structure and chemical bonding in MOn- and MOn clusters (M = Mo, W; n = 3-5): A photoelectron spectroscopy and ab initio study
Hua-Jin Zhai, B. Kiran, Li-Feng Cui, Xi Li, D. A. Dixon, and Lai-Sheng Wang
Journal of the American Chemical Society 2004, 126, 16134-16141.[PDF]
[50]SiAu4: Aurosilane
B. Kiran, Xi Li, Hua-Jin Zhai, Li-Feng Cui, and Lai-Sheng Wang
Angewandte Chemie International Edition 2004, 43, 2125-2129.[PDF]
[49]Sequential oxidation of the cubane [4Fe-4S] cluster from [4Fe-4S]- to [4Fe-4S]3+ in Fe4S4Ln- complexes
Hua-Jin Zhai, Xin Yang, You-Jun Fu, Xue-Bin Wang, and Lai-Sheng Wang
Journal of the American Chemical Society 2004, 126, 8413-8420.[PDF]
[48]D5h Cu5H5X: Pentagonal Hydrocopper Cu5H5 Containing Pentacoordinate Planar Nonmetal Centers (X=B,C,N,O)
Si-Dian Li, Chang-Qing Miao, and Guang-Ming Ren
European Journal of Inorganic Chemistry 2004, 11, 2232-2234.[PDF]
[47]Hexacoordinate Planar Main Group Atoms Centered in Hexagonal Hydrocopper Complexes Cu6H6X (X=Si,P,As)
Si-Dian Li, Guang-Ming Ren, and Chang-Qing Miao
Inorganic Chemsitry 2004, 43(20), 6331-6333.[PDF]
[46]Conducting polymer electrochemical actuator made of high-strength three-layered composite films of polythiophene and polypyrrole
Gaoyi Han, Gaoquan Shi
Sensors and Actuators B 2004, 99, 525–531.[PDF]
[45]High-response tri-layer electrochemical actuators based on conducting polymer films
Gaoyi Han，Gaoquan Shi
Journal of Electroanalytical Chemistry 2004, 569, 169-174.[PDF]
[44]Electrochemical polymerization of chiral pyrrole derivatives in electrolytes containing chiral camphor sulfonic acid
GY Han, GQ Shi, LT Qu, JY Yuan, FE Chen1 and PY Wu
Polymer International 2004, 39, 4451–4457. [PDF]
[43]Electrochemical growth of aligned N-chiral alkyl substituted polypyrrole micro-ribbons
GAOYI HAN，GAOQUAN SHI, JINYING YUAN, FENG’EN CHEN
Journal of Materials Science 2004, 53, 1554–1560. [PDF]
[42]手性环境下的手性N2取代吡咯电化学聚合及其微结构
韩高义，石高全等
2003
[41]Au20: A tetrahedral cluster
Jun Li, Xi Li, Hua-Jin Zhai, and Lai-Sheng Wang
Science 2003, 299, 864-867. [PDF]
[40]All-metal antiaromatic molecule: Rectangular Al44- in the Li3Al4- anion
A. E. Kuznetsov, K. A. Birch, A. I. Boldyrev, Xi Li, Hua-Jin Zhai, and Lai-Sheng Wang
Science 2003, 300, 622-625.[PDF]
[39]Observation and confirmation of hepta- and octa-coordinated boron in molecular wheels of 8-and 9-atom boron clusters
Hua-Jin Zhai, A. N. Alexandrova, K. A. Birch, A. I. Boldyrev, and Lai-Sheng Wang,
Angewandte Chemie International Edition 2003, 42, 6004-6008.[PDF]
[38]Hydrocarbon analogs of boron clusters: Planarity, aromaticity, and antiaromaticity
Hua-Jin Zhai, B. Kiran, Jun Li, and Lai-Sheng Wang
Nature Materials 2003, 2, 827-833.[PDF]
[37]An ab initio Investigation on the Vertical Electron Detachment Energies of Semiconductor-alkali binary anions EnA- (A=K, Na, Li; E=Ge,Si; n=1-10)
Si-Dian Li, Guang-Ming Ren, and Zhi-Hao Jin
Journal of Chemical Physics 2003, 19, 10063-10068.[PDF]
[36]Structures and Aromaticities of Carbon-rich Semiconductor Microclauters GelSimCn－An ab initio Study
Si-Dian Li, Hong-Lang Yu, Hai-Shun Wu, and Zhi-Hao Jin
Journal of Chemical Physics 2003, 119, 6750-6752.[PDF]
2002
[35]Experimental observation and confirmation of icosahedral W@Au12 and Mo@Au12 molecules
Xi Li, K. Boggavarapu, Jun. Li, Hua-Jin Zhai, and Lai-Sheng Wang
Angewandte Chemie International Edition 2002, 41, 4786-4789.[PDF]
[34]In search of covalently-bound tetra- and penta-oxygen species: A photoelectron spectroscopic and ab initio investigation of MO4- and MO5- (M = Li, Na, K, Cs)
Hua-Jin Zhai, Xin Yang, Xue-Bin Wang, Lai-Sheng Wang, B. Elliott, and A. I. Boldyrev
Journal of the American Chemical Society 2002, 124, 6742-6750. [PDF]
[33]Al62- - Fusion of two aromatic Al3- units. A combined photoelectron spectroscopy and ab initio study of M+[Al62-] (M = Li, Na, K, Cu, and Au)
A. E. Kuznetsov, A. I. Boldyrev, Hua-Jin Zhai, Xi Li, and Lai-Sheng Wang
Journal of the American Chemical Society 2002, 124, 11791-11801.[PDF]
[32]An ab initio Investigation on Aromaticities in Semiconductor systems
Si-Dian Li, Hong-Lang Yu, Hai-Shun Wu, Zhi-Hao Jin
Journal of Chemical Physics 2002, 117(21), 9543-9547.[PDF]
[31]Structural and Electronic Properties of Genm- and KGen- Zintl Anions (n=3-10;m=2-4 ) from Density Functional Theory
Si-Dian Li, Qiao-Ling Guo, Xiu-Feng Zhao, Hai-Shun Wu, and Zhi-Hao Jin
Journal of Chemical Physics 2002, 117(2), 606-614.[PDF]
[30]Ab initio Configuration Calculations of Semiconductor Ternary Clusters GelSimCn (l+m+n≤6)
Si-Dian Li, Sheng-Yun Li, Ming-Gen Zhao, Hai-Shun Wu, and Zhi-Hao Jin
Physical Review B 2002, 66, 1652131-9.[PDF]
[29]A Potential Energy Function Study of the Dynamical and Surface Properties of Lead
Si-Dian Li, and Zhi-Hao Jin
Computers and Applied chemical 2002, 19(6), 759-762.[PDF]
[28]晶体铅动力学及其表面性质的势能函数模拟
李思殿，金志浩，H.考可斯，J.N.莫诺
计算机与应用化学 2002, 19(6)， 759-762. [PDF]
[27] Synthesis and characterization of water-insoluble and water- soluble dibutyltin(IV) porphinate complexes based on the tris(pyridinyl) porphyrin moiety, their anti-tumor
Han Gaoyi, Yang Pin
Journal of Inorganic Biochemistry 2002, 91, 230–236.[PDF]
2001
[26] Ionization Potentials，Electron Affinities and Vibrational Frequencies of Gen (n=5-10) Neutrals and Charged Ions from Density Functional Theory
Si-Dian Li, Zhi-Gang Zhao, Hai-Shun Wu, and Zhi-Hao Jin
Journal of Chemical Physics 2001, 115(20), 9255-9259.[PDF]
[25] Structural and Electronic Properties of Semiconductor Binary Microclusters AmBn (A，B=Si，Ge，C)：A B3LYP-DFT Study
Si-Dian Li, Zhi-Gang Zhao, Xiu-Feng Zhao, Hai-Shun Wu, and Zhi-Hao Jin
Physical Review B 2001, 64(19), 1953121-5.[PDF]
[24]水溶性不对称卟啉及其金属配合物合成及与DNA的作用
韩高义，杨频
化学学报 2001, 56(6), 925-930.[PDF]
[23]四[对-(羧基甲氧基)苯基]卟啉的金属配合物(M=Zn,Cu, Ni)的π-π配合及其二丁基锡(Ⅳ)酯衍生物的抗癌活性
韩高义，杨频
高等学校化学学报 2001, 22(12), 1993-1995.[PDF]
[22]水溶性有机锡卟啉酯的合成及其体外抗肿瘤活性
韩高义，杨频
科学通报 2001, 46(12), 1002-1005.[PDF]
[21]β-环糊精与四-N-正丙基吡啶基卟啉包合作用的研究
范晓毅, 韩高义, 陈世荣, 杨频
无机化学学报 2001, 17, 188-192.[PDF]
2000
[20]Pbn(n=2-30)团簇结构及铅晶体表面过程的计算机模拟
李思殿，金志浩
无机化学学报 2000，16（5），811-813. [PDF]
[19]硅锗混合团簇GemSin（m+n≤10）的非正交紧束缚模型研究.
李思殿，金志浩
高等学校化学学报 2000, 21(9)，1468-1467.[PDF]
[18]Pbn 微团簇( n = 20～30) 及铅晶体表面过程的计算机模拟
李思殿
计算机与应用化学 2000, 17(1)，41-42. [PDF]
1999
[17]Nonorthogonal Tight-binding Study of the Geometries and Electronic Properties of Gen (n= 2-20) Clusters
Si-Dian Li, Ji-Jun Zhao, and Guang-Hou Wang
Chemical Research in Chinese Universities 1999, 15(1), 52-57.[PDF]
1995
[16]面心立方C60表面过程的计算机模拟
李思殿，王双河
物理化学学报 1995, 11（5），470-472.[PDF]
[15]二角场及四角场fN组态的配位场计算程序
杨频，李思殿，范英芳，王越奎，
计算机与应用化学 1995, 12（3），212-215.[PDF]
1994
[14]多体展开势能函数在碳元素原子簇研究中的应用Ⅲ锗原子簇的结构和相对稳定性
李思殿
[13]碱金属原子簇的结构和稳定性
李思殿，王继武，程晓燕，
无机化学学报 1994, 10（3），305-310.[PDF]
[12]多体展开势能函数在碳元素原子簇研究中的应用(Ⅳ)Si9～Si16原子簇的结构与稳定性
李思殿
高等学校化学学报 1994, 15（1），108-112.[PDF]
1993
[11]晶体C60的相对稳定性
李思殿
[10]面心立方C60的声子散射频率及态密度
李思殿
[9]锡原子簇的结构和相对稳定性
李思殿，R.约翰斯顿，J.莫诺
物理化学学报 1993, 9（5），642-649.[PDF]
[8]碳立体化学的新进展:从链状、环状到球状碳
李思殿
1992
[7]Cluster Structure and Stabilities from Solid-State Potentials
Si-Dian Li, Roy L.Johnston, and John N. Murrell, Murrell
Journal of Chemiscal Society,Faraday Transactions 1992, 88(3), 1229-1236.[PDF]
[6]Potential Energy Functions for Atomic Solids Ⅳ.Reproducing the Properties of More Than One Solid Phase
Bernd R. Eggen, Roy L.Johnston, Si-Dian Li, and John N.Murrell
Molecular Physics 1992, 76(3), 619-633.[PDF]
[5]LaOX：Dy3+体系荧光光谱的理论解析
杨频，李思殿，王越奎
高等学校化学学报 1992, 13（6），804-808.[PDF]
[4]球状碳：C60及C70
李思殿，杨频
1991
[3]Coordination Field Analysis of the Fluorescence Spectra of LaOX:Er3+ Phosphors (X-≡Cl-, Br-)
Pin Yang, Si-Dian Li, and Yue-Kui Wang
Journal Physics:Condensed Matter 1991, 3, 483-493.[PDF]
[2]LaOX—Pr3+(X=Cl,Br)体系的荧光特性及其配位场理论解析
杨频，李思殿，王越奎
[1]Sm3+与Nd3+在LaOX系列基质中的配位场能级及其光谱解析
杨频，李思殿，王越奎，
无机化学学报 1991, 7（3），338-343.[PDF]