PUBLICATIONS

A more detailed list of our publications can be obtained here

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2015 download
[1]Branched Artificial Nanofinger Arrays by Mesoporous Interfacial Atomic Rearrangement
Biao Kong, Jing Tang, Yueyu Zhang, Cordelia Selomulya, Xingao Gong, Yang Liu, Wei Zhang, Jianping Yang, Wenshuo Wang, Xiaotian Sun, Yufei Wang, Gengfeng Zheng,* and Dongyuan Zhao*
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
DOI: 10.1021/jacs.5b01747
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2014 download
[1]Prediction of Silicon-Based Layered Structures for Optoelectronic Application
Luo, Wei; Ma, Yanming; Gong, Xingao,Hongjun Xiang*
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
DOI: 10.1021/ja507147p
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[2]Predicting New TiO2 Phases with Low Band Gaps by a Multiobjective Global Optimization Approach
Chen, Hou-Zun; Zhang, Yue-Yu; Gong, Xingao; Xiang, Hongjun
JOURNAL OF PHYSICAL CHEMISTRY C
DOI: 10.1021/jp411437f
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[3]Influence of Defects and Synthesis Conditions on the Photovoltaic Performance of Perovskite Semiconductor CsSnl(3)
Xu, Peng; Chen, Shiyou; Xiang, Hong-Jun; Gong, Xin-Gao Gong; Wei Su-Huai
CHEMISTRY OF MATERIALS
DOI: 10.1021/cm503122j
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[4]Design of I-2-II-IV-VI4 Semiconductors through Element Substitution: The Thermodynamic Stability Limit and Chemical Trend
Wang, Congcong; Chen, Shiyou; Yang, Ji-Hui; Lang Li, Xiang Hong-Jun ,Gong Xin-Gao ;Walsh Aron; Wei Su-Huai
CHEMISTRY OF MATERIALS
DOI: 10.1021/cm500598x
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[5]WO3 Nanoflakes for Enhanced Photoelectrochemical Conversion
Li, WJ; Da, PM; Zhang, YY; Lin; X, Gong, XG; Zheng, GF
ACS NANO
DOI: 10.1021/nn5053684
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[6]Intrinsic insulating ferromagnetism in manganese oxide thin films
Y. S. Hou, H. J. Xiang,* and X. G. Gong+
Phys. Rev. B
DOI: 10.1103/PhysRevB.89.064415
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[7]Inverse design of materials by multi-objective differential evolution
Yue-Yu Zhang, Weiguo Gao, Shiyou Chen, Hongjun Xiang, Xin-Gao Gong*
Computational Materials Science
DOI: 10.1016/j.commatsci.2014.10.054
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[8]Valley and band structure engineering of folded MoS2bilayers
Tao Jiang,Hengrui Liu,DiHuang, Shuai Zhang, Yingguo Li, Xingao Gong*,Yuen-Ron Shen, Wei-Tao Liu*,and Shiwei Wu*
Nature Nanotechnology
DOI: 10.1038/nnano.2014.176
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[9]Solar-Driven Photoelectrochemical Probing of Nanodot/Nanowire/ Cell Interface
J Tang, Y Zhang,B Kong, Y Wang, P Da, J Li, A A Elzatahry, D Zhang, X Gong, G Zheng (2014)
Nano Letters
DOI: 10.1021/nl500608w
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[10]What are grain boundary structures in graphene?
Z L Li, Z M Li, H Y Cao, J H Yang, Q Shu, Y Y Zhang, H J Xiang, X G Gong (2014)
Nanoscale
DOI: 10.1039/c3nr06823d
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[11]Predicting New TiO2 Phases with Low Band Gaps by a Multiobjective Global Optimization Approach
Chen, H. Z., Zhang, Y. Y., Gong, X., & Xiang, H. (2014)
The Journal of Physical Chemistry C
DOI: 10.1021/jp411437f
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[12]Interfacial effects on the spin density wave in FeSe/SrTiO thin films
HY Cao, S Tan, H Xiang, DL Feng, XG Gong
Physical Review B
DOI: 10.1103/PhysRevB.89.014501
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[13]First-principles study on the electronic andoptical properties of cubic ABX3 halide perovskites
L Lang, J H Yang, H R Liu, H J Xiang, X G Gong (2014)
Physics Letters A
DOI: 10.1016/j.physleta.2013.11.018
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2013 download
[1]Simultaneous Etching and Doping of TiO2 Nanowire Arrays for Enhanced Photoelectrochemical Performance
Yongcheng Wang, Yue-Yu Zhang, Jing Tang, Haoyu Wu, Ming Xu, Zheng Peng, Xin-Gao Gong, and Gengfeng Zheng
ACS Nano
DOI: 10.1021/nn4040876
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[2]Self-Assembled Water Molecules as a Functional Valve for a High-Pressure Nanocontainer
H. Y. Chen1, D. Y. Sun1, X. G. Gong and Zhi-Feng Liu
Angew Chem Int Ed
DOI: 10.1002/anie.201207463
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[3]Classification of Lattice Defects in the Kesterite Cu2ZnSnS4 and Cu2ZnSnSe4 Earth-Abundant Solar Cell Absorbers
Shiyou Chen,Aron Walsh,Xin-gao Gong, and Su-Huai Wei
Advanced Materials
DOI: 10.1002/adma.201203146
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[4]Composition- and Band-Gap-Tunable Synthesis of Wurtzite-Derived Cu2ZnSn(S1xSex)4 Nanocrystals: Theoretical and Experimental Insights
Feng-Jia Fan,Liang Wu,Ming Gong,Guangyao Liu,Yi-Xiu Wang,Shu-Hong Yu,Shiyou Chen,Lin-Wang Wang,and Xin-Gao Gong
ACS Nano
DOI: 10.1021/nn3052296
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[5]Magnetic properties and energy-mapping analysis
Hongjun Xiang,Changhoon Lee,Hyun-Joo Koo,Xingao Gong and Myung-Hwan Whangbo
Dalton Transactions
DOI: 10.1039/c2dt31662e
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[6]Stability and electronic structure of Cu2ZnSnS4 surfaces: First-principles study
Peng Xu (2013)
PHYSICAL REVIEW B
DOI: 10.1103/PhysRevB.88.045427
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[7]Prediction of a multiferroic state with large electric polarization in tensile-strained TbMnO3
YS Hou, JH Yang, XG Gong, HJ Xiang
PHYSICAL REVIEW B
DOI: 10.1103/PhysRevB.88.060406
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[8]Unified model of ferroelectricity induced by spin order
HJ Xiang, PS Wang, MH Whangbo, XG Gong
Phys. Rev. B
DOI: 10.1103/PhysRevB.88.054404
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[9]Self-stopping effects of lithium penetration into silicon nanowires
L Lang, C Dong, G Chen, J Yang, X Gu, H Xiang, R Wu…
Nanoscale
DOI: 10.1039/C3NR03301E
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[10]High Temperature Ferromagnetic-Ferroelectric Multiferroicity in Strained BiMnO3
X. Z. Lu,X. G. Gong,H. J. Xiang
Materials Science
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[11]Cu2Zn(Sn,Ge)Se4 and Cu2 Zn(Sn,Si)Se4 alloys as photovoltaic materials:Structural and electronic properties
Qiang Shu, Ji-Hui Yang, Shiyou Chen, Bing Huang, Hongjun Xiang, Xin-Gao Gong, and Su-Huai Wei
PHYSICAL REVIEW B
DOI: 10.1103/PhysRevB.87.115208
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[12]Proton-Induced Dysfunction Mechanism of Cathodes in an Aqueous Lithium Ion Battery
Qiang Shu, Long Chen, Yongyao Xia, Xingao Gong, and Xiao Gu
The Journal of Physical Chemistry C
DOI: 10.1021/jp311270s
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[13]Origin of the superior conductivity of perovskite Ba(Sr)SnO3
Heng-Rui Liu,Ji-Hui Yang,H. J. Xiang,X.G.Gong,and Su-Huai Wei
Appl. Phys. Lett
DOI: 10.1063/1.4798325
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[14]Towards Direct-Gap Silicon Phases by the Inverse Band Structure Design Approach
HJ Xiang,B Huang,E Kan,SH Wei,XG Gong
Physical Review Letters
DOI: 10.1103/PhysRevLett.110.118702
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2012 download
[1]Prediction of (TiO2)x(Cu2O)y alloys for efficient photoelectrochemical water splitting
Heng-Rui Liu,Ji-Hui Yang,Yue-Yu Zhang,Shiyou Chen,Aron Walsh,Hongjun Xiang,Xingao Gong and Su-Huai Wei
Phys. Chem. Chem. Phys.
DOI: 10.1039/c2cp44484d
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[2]First-principles study on the effective masses of zinc-blend-derived Cu2 Zn2IV2VI4 (IV 5 Sn,Ge,Si and VI 5 S,Se)
Heng-Rui Liu,Shiyou Chen,Ying-Teng Zhai,H. J. Xiang,X. G. Gong,and Su-Huai Wei
JOURNAL OF APPLIED PHYSICS
DOI: 112,093717
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[3]Magnetic properties and energy-mapping analysis
Hongjun Xiang,Changhoon Lee,Hyun-Joo Koo,Xingao Gong and Myung-Hwan Whangbo
Dalton Transactions
DOI: 10.1039/c2dt31662e
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[4]Helicoidal magnetic structure and ferroelectric polarization in Cu3Nb2O8
Z. L. Li,M.-H. Whangbo,X. G. Gong,and H. J. Xiang
PHYSICS REVIEW B
DOI: 86 174401
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[5]Unexpected large thermal rectification in asymmetric grain boundary of graphene
Hai-Yuan Cao,Hongjun Xiang,Xin-Gao Gong
Solid State Communications
DOI: Volume 152,Issue 19,October 2012,Pages 1807-1810
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[6]Size-dependent melting behavior of iron nanoparticles by replica exchange molecular dynamics.
Shu,Qiang; Yang,Yang; Zhai,Ying-Teng; Sun,D Y; Xiang,H J; Gong,X G
Nanoscale
DOI: 4 6307-11
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[7]Strong Dzyaloshinskii-Moriya Interaction and Origin of Ferroelectricity in Cu2OSeO3
J. H. Yang,Z. L. Li,X. Z. Lu,M.-H. Whangbo,Su-Huai Wei,X. G. Gong,and H. J. Xiang
PHYSICAL REVIEW LETTERS
DOI: 109 107203
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[8]Si3AlP:A New Promising Material for Solar Cell Absorber
Yang,JH; Zhai,YT; Liu,HR; Xiang,HJ; Gong,XG; Wei,SH
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
DOI: 13412653-12657
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[9]Strain effect on the diffusion of interstitial Mn in GaAs
Wang,ZT; Chen,SY; Duan,XM; Wei,SH; Sun,DY; Gong,XG
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 24 215801
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[10]Giant Ferroelectric Polarization of CaMn7O12 Induced by a Combined Effect of Dzyaloshinskii-Moriya Interaction and Exchange Striction
Lu,XZ; Whangbo,MH; Dong,S; Gong,XG; Xiang,HJ
PHYSICAL REVIEW LETTERS
DOI: 85 054426
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[11]Kesterite Thin-Film Solar Cells:Advances in Materials Modelling of Cu2ZnSnS4
Walsh,A; Chen,SY; Wei,SH; Gong,XG
ADVANCED ENERGY MATERIALS
DOI: 24 2305-2309
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[12]An Optimized Ultraviolet-A Light Photodetector with Wide-Range Photoresponse Based on ZnS/ZnO Biaxial Nanobelt
Linfeng Hu,Jian Yan,Meiyong Liao,Hongjun Xiang,Xingao Gong,Lide Zhang,Xiaosheng Fang
Advanced Materials
DOI: 2 400-409
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[13]Effective Control of the Charge and Magnetic States of Transition-Metal Atoms on Single-Layer Boron Nitride
Bing Huang,Hongjun Xiang,Jaejun Yu,and Su-Huai Wei
PHYSICAL REVIEW LETTERS
DOI: 108 206802
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[14]Strong single-ion anisotropy and anisotropic interactions of magnetic adatoms induced by topological surface states
Z. L. Li,J. H. Yang,G. H. Chen,M.-H. Whangbo,H. J. Xiang,and X. G. Gong
PHYSICS REVIEW B
DOI: 108 187204
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[15]Ordered Semiconducting Nitrogen-Graphene Alloys
H. J. Xiang,B. Huang,Z.Y. Li,S.-H. Wei,J. L. Yang,and X.G. Gong
PHYSICAL REVIEW X
DOI: 2 011003
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[16]Layer and size dependence of thermal conductivity in multilayer graphene nanoribbons
Hai-Yuan Cao,Zhi-Xin Guo,Hongjun Xiang,Xin-GaoGong
PHYSICS LETTERS A
DOI: 376(4) pp:525-528
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2011 download
[1]Predicting the spin-lattice order of frustrated systems from first principles
H. J. Xiang,E. J. Kan,Su-Huai Wei,M.-H. Whangbo,and X. G. Gong
PHYSICAL REVIEW B
DOI: 84 224429
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[2]First principles study of adsorption of O(2) on Al surface with hybrid functionals
Liu Heng-Rui; Xiang Hongjun; Gong X. G.
JOURNAL OF CHEMICAL PHYSICS
DOI: 135 214702
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[3]Predicting Two-Dimensional Boron-Carbon Compounds by the Global Optimization Method
Xinyu Luo,Jihui Yang,Hanyu Liu,Xiaojun Wu,Yanchao Wang,Yanming Ma,Su-Huai Wei,Xingao Gong,and Hongjun Xiang
J. Am. Chem. Soc.
DOI: 133(40),pp:16285-16290
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[4]General Theory for the Ferroelectric Polarization Induced by Spin-Spiral Order
H. J. Xiang,E. J. Kan,Y. Zhang,M.-H. Whangbo,and X.G. Gong
PHYSICAL REVIEW LETTERS
DOI: 105 157202
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[5]Structural diversity and electronic properties of Cu(2)SnX(3) (X = S,Se):A first-principles investigation
Ying-Teng Zhai,Shiyou Chen,Ji-Hui Yang,Hong-Jun Xiang,Xin-Gao Gong,Aron Walsh,
PHYSICAL REVIEW B
DOI: 84 075213
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[6]Manipulating thermal conductivity through substrate coupling
Guo Zhi-Xin,Zhang Dier,Gong Xin-Gao
PHYSICAL REVIEW B
DOI: 84 075470
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[7]Electronic localization of quantum-well states in Ag/Au(111) metallic heterostructures
F. Forster,E. Gergert,A. Nuber,H. Bentmann,Li Huang,X. G. Gong,Z. Zhang,and F. Reinert
PHYSICAL REVIEW B
DOI: 84 075412
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[8]Dynamical Coupling Atomistic and Continuum Simulations
Guowu Ren,Dier Zhang and Xin-Gao Gong
Communications in Computational Physics
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[9]First-Principles Study of H(+) Intercalation in Layer-Structured LiCoO(2)
Xiao Gu,Jin-long Liu,Ji-hui Yang,Hong-jun Xiang,Xin-gao Gong,and Yong-yao Xia
Communications in Computational Physics
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[10]Band structure engineering of multinary chalcogenide topological insulators
Shiyou Chen,X. G. Gong,Chun-Gang Duan,Zi-Qiang Zhu,Jun-Hao Chu,Aron Walsh,Yu-Gui Yao,Jie Ma,and Su-Huai Wei
PHYSICAL REVIEW B
DOI: 83 245202
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[11]First-principles study of defect properties of zinc blende MgTe
Ji-Hui Yang,Shiyou Chen,Hongjun Xiang,X. G. Gong,and Su-Huai Wei
PHYSICAL REVIEW B
DOI: 83 235208
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[12]Understanding periodically twinned structure in nano-wires
Ying-Teng Zhai and Xin-Gao Gong
PHYSICS LETTERS A
DOI: 375 1889
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[13]Single-ion anisotropy,Dzyaloshinskii-Moriya interaction,and negative magnetoresistance the spin-1/2 pyrochlore R2V2O7
H. J. Xiang,E. J. Kan,M.-H. Whangbo,C. Lee,Su-Huai Wei,and X. G. Gong
PHYSICAL REVIEW B
DOI: 83 174402
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[14]Finite Temperature Properties of Clusters by Replica Exchange Metadynamics:The Water Nonamer
Zhai Yingteng,Alessandro Laio,Erio Tosatti,and Gong Xin-Gao
J. Am. Chem. Soc.
DOI: 133 (8) pp 2535\A8C2540
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[15]Compositional dependence of structural and electronic properties of Cu2ZnSn(S,Se)4 alloysfor thin film solar cells
Shiyou Chen,Aron Walsh,Ji-Hui Yang,X. G. Gong,Lin Sun,Ping-Xiong Yang,Jun-Hao Chu,and Su-Huai Wei
PHYSICAL REVIEW B
DOI: 83 125201
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2010 download
[1]Wurtzite-derived polytypes of kesterite and stannite quaternary chalcogenide semiconductors
Shiyou Chen,Aron Walsh,Ye Luo,Ji-Hui Yang,X. G. Gong,and Su-Huai Wei
PHYSICAL REVIEW B
DOI: 82 195203
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[2]Thermodynamically stable single-side hydrogenated graphene
H. J. Xiang,E. J. Kan,Su-Huai Wei,X. G. Gong,and M.-H. Whangbo
PHYSICAL REVIEW B
DOI: 82 165425
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[3]hcp metal nanoclusters with hexagonal A-A bilayer stacking stabilized by enhanced covalent bonding
S. F. Li,Haisheng Li,Xinlian Xue,Yu Jia,Z. X. Guo,Zhenyu Zhang,and X. G. Gong
PHYSICAL REVIEW B
DOI: 82 035443
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[4]Structural motifs in oxidized graphene:A genetic algorithm study based on density functional theory
Xiang Hongjun ,Wei Su-Huai,and Gong XG
PHYSICAL REVIEW B
DOI: 82 035416
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[5]The intriguing thermal conductivity of ice nanotubes
Guo ZX ,Zhang D,Zhai YT,and Gong XG
NANOTECHNOLOGY
DOI: 21 285706
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[6]First-principles studies for CO and O2 on gold nanocluster
Xie YP and Gong XG
JOURNAL OF CHEMICAL PHYSICS
DOI: 132 244302
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[7]Quantum-well states in a double-well system:an example of Cu/Co(Ni)/Cu
Xie YP,Wu YZ,and Gong XG
JOURNAL of PHYSICS:CONDENSED MATTER
DOI: 22 052203
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[8]Structures of [Ag-7(SR)(4)](-) and [Ag-7(DMSA)(4)](-)
Xiang HJ,Wei SH,and Gong XG
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
DOI: 132 7355
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[9]Intrinsic point defects and complexes in the quaternary kesterite semiconductor Cu2ZnSnS4
Chen SY,Yang JH,Gong XG,Aron Walsh,and Wei SH
PHYSICAL REVIEW B
DOI: 81 245204
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[10]Effective band gap narrowing of anatase TiO2 by strain along a soft crystal direction
Yin WJ,Chen SY,Yang JH,Gong XG,Yang YF,and Wei SH
APPLIED PHYSICS LETTERS
DOI: 96 221901
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[11]Defect physics of the kesterite thin-film solar cell absorber Cu2ZnSnS4
Chen SY,Gong XG,Aron Walsh,and Wei SH
APPLIED PHYSICS LETTERS
DOI: 96 021902
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[12]First-Principles Study of Small Oxidized Silver Clusters
Wang Y and Gong XG
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
DOI: 10 5500
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[13]Characterization of the interface between the Hf-based high-k thin film and the Si using spatially resolved electron energy-loss spectroscopy
Wang XF,Li Q,Lee PF,Dai JY,and Gong XG
MICRON
DOI: 41 15
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[14]Gold cluster beyond hollow cage:A double shell structure of Au-58
Dong CD and Gong XG
JOURNAL OF CHEMICAL PHYSICS
DOI: 132 104301
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2009 download
[1]Identifying Optimal Inorganic Nanomaterials for Hybrid Solar Cells
Xiang HJ,Wei SH,and Gong XG
JOURNAL OF PHYSICAL CHEMISTRY C
DOI: 113 18968
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[2]Thermal conductivity of graphene nanoribbons
Zhixin Guo,Dier Zhang,and Xin-Gao Gong
APPLIED PHYSICS LETTERS
DOI: 95 163103
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[3]Ordered ground state wurtzite alloys from zinc-blende parent compounds
Xiang HJ,Wei SH,Chen SY,and Gong XG
PHYSICAL REVIEW B
DOI: 80 113201
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[4]Quaternary semiconductors with positive crystal field splitting:Potential high-efficiency spin-polarized electron sources
Chen SY,Yin WJ,Yang JH,Gong XG,Aron Walsh,and Wei SH
APPLIED PHYSICS LETTERS
DOI: 95 052102
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[5]Energetics and electronic structure of aluminum point defects in HfO2:A first-principles study
Hou ZF,Gong XG,and Li Q
JOURNAL of APPLIED PHYSICS
DOI: 106 014104
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[6]Electronic structure and phase stability of MgTe,ZnTe,CdTe,and their alloys in the B3,B4,and B8 structures
Yang JH,Chen SY,Yin WJ,Gong XG,Aron Walsh,and Wei SH
PHYSICAL REVIEW B
DOI: 79 245202
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[7]Revised ab initio natural band offsets of all group IV,II-VI,and III-V semiconductors
Li YH,Aron Walsh,Chen SY,Yin WJ,Yang JH,Li JB,Juarez L. F. Da Silva,Gong XG,and Wei SH
APPLIED PHYSICS LETTERS
DOI: 94 212109
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[8]Electronic structure and stability of quaternary chalcogenide semiconductors derived from cation cross-substitution of II-VI and I-III-VI2 compounds
Chen SY,Gong XG,Aron Walsh,and Wei SH
PHYSICAL REVIEW B
DOI: 79 165211
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[9]Configuration dependence of the electronic structure and optical properties of BC2N alloys
Chen SY,Gong XG,and Wei SH
PHYS. STATUS SOLIDI B
DOI: 246589
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[10]Crystal and electronic band structure of Cu2ZnSnX4 (X=S and Se)photovoltaic absorbers:First-principles insights
Chen SY,Gong XG,and Wei SH
APPLIED PHYSICS LETTERS
DOI: 94 041903
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[11]Hybridized kinetic energy functional for orbital-free density functional method
Yin WJ,Gong XG
PHYSICS LETTERS A
DOI: 373 480
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2008 download
[1]Diffusion of Vinyl Bromide through the Crystals of p-Bu-t-calix[4]arene
Gu X,Zhang L,Gong XG,Liu ZF
THE JOURNAL OF PHYSICAL CHEMISTRY B
DOI: 112 14851
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[2]A DENSITY-FUNCTIONAL-THEORY STUDY OF MAGNETIC ANISOTROPIES OF ONE-DIMENSIONAL Ni CHAINS AND MAGNETISM OF 3D TRANSITION METALS ON Au(110)-(1X2) SURFACE
Fan W,Gong XG
SURFACE REVIEW AND LETTERS
DOI: 15 567
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[3]Effects of Y doping on the structural stability and defect properties of cubic HfO2
Chen GH,Hou ZF,Gong XG,Li Q
JOURNAL OF APPLIED PHYSICS
DOI: 104 074101Oct 2008
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[4]Structural and electronic properties of cubic HfO2 surfaces
Chen GH,Hou ZF,Gong XG
COMPUTATIONAL MATERIALS SCIENCE
DOI: 4446 Mar 2008
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[5]No Cage,No Tube:Relative Stabilities of Nanostructures
Li SF,Gao L,Gong XG,Guo ZX
JOURNAL OF PHYSICAL CHEMISTRY C
DOI: 112 13200JUN 2008
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[6]Origin of the unusually large band-gap bowing and the breakdown of the band-edge distribution rule in the SnxGe1-x alloys
Yin WJ,Gong XG,Wei SH
PHYSICAL REVIEW B
DOI: 78 Art. No. 161203Jul 2008
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[7]Magnetism enhanced layer-like structure of small cobalt clusters
Dong CD,Gong XG
PHYSICAL REVIEW B
DOI: 78 Art. No. 020409Jul 2008
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[8]Peculiar distribution of Pd on Au nanoclusters:First-principles studies
Yuan DW,Gong XG,Wu RQ
PHYSICAL REVIEW B
DOI: 78 Art. No. 035441 Jul 2008
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[9]Finite element approximations for Schrodinger equations with applications to electronic structure computations
Gong XG,Shen LH,Zhang DE,Zhou AH
JOURNAL OF COMPUTATIONAL MATHEMATICS
DOI: 26 310MAY2008
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[10]Magic number 32 and 90 in metal clusters:A shell jellium model study
Yin WJ,Gu X and Gong XG
SOLID STATE COMMUNICATIONS
DOI: 147323JUN2008
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[11]Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh
Zhang DE,Shen LH,Zhou AH,Gong XG
PHYSICS LETTERS A
DOI: 372 5071 JUN2008
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[12]Relativistic Effects and the Unique Low-Symmetry Structures of Gold Nanoclusters
Huang W,Ji M,Dong CD,Gu X,Wang LM,Gong XG,and Wang LS
ACS NANO
DOI: 2 897 MAY 2008
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[13]Al-induced reduction of the oxygen diffusion in HfO2:an ab initio study
Hou ZF,Gong XG,Li Q
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 20Art. No. 135206APR 2008
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[14]Pressure-induced structural transformation of CdSe nanocrystals studied with molecular dynamics
Ye X,SUN DY,Gong XG
PHYSICAL REVIEW B
DOI: 77 Art. No. 094108 Mar 2008
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[15]Ground-state structure of coherent lattice-mismatched zinc-blende A(1-x)B(x)C semiconductor alloys (x=0.25 and 0.75)
Chen SY,Gong XG,Wei SH
PHYSICAL REVIEW B77
DOI: Art. No. 073305Feb2008
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[16]Crystal structures and mechanical properties of superhard BC2N and BC4N alloys:First-principles calculations
Chen SY,Gong XG,Wei SH
PHYSICAL REVIEW B77
DOI: Art. No. 014113 Jan2008
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[17]Origin of high activity and selectivity of PdAu(001) bimetallic surfaces toward vinyl acetate synthesis
Yuan DW,Gong XG,Wu RQ
JOURNAL OF PHYSICAL CHEMISTRY C
DOI: 112 1539 Feb 2008
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2007 download
[1]Ensemble effects on ethylene dehydrogenation on PdAu(001) surfaces investigated with first-principles calculations and nudged-elastic-band simulations
Yuan,DW,Gong XG,Wu,RQ
PHYSICAL REVIEW B
DOI: 75Art. No. 233401 Jun 2007
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[2]Band-structure anomalies of the chalcopyrite semiconductors CuGaX_2 versus AgGaX_2 (X=S and Se) and their alloys
Chen SY,Gong XG,Wei SH
PHYSICAL REVIEW B
DOI: 75Art. No. 205209 May2007
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[3]First-Principles Study of Adsorption and Diffusion on Ge/Si(001) and Ge/Si(105) Surfaces
Huang L,Lu GH,Liu F,Gong XG
SURFACE SCIENCE
DOI: 601(14) 306715 JUL 2007
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[4]Structural transitions of non-helical Au nanotubes induced by axial compression
Gu X,Gong XG
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 19 242205 MAY 25 2007
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[5]Giant piezoresistance and its origin in Si(111) nanowires:First-principles calculations
Cao JX,Gong XG,Wu RQ
PHYSICAL REVIEW B
DOI: 75(23) Art. No.233302JUN 142007
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[6]Au34-:A Fluxional Core-Shell Cluster
Gu X,Bulusu S,Li X,Zeng X C,Li J,Gong XG,Wang LS
JOURNAL OF PHYSICAL CHEMISTRY
DOI: ASAP Article 10.1021/jp071960b S1932-7447(07)01960-7 MAY 17 2007
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[7]Evolution of a symmetry gap and synergetic quantum well states in ultrathin Ag Films on Au(111) substrates
Huang L,Gong XG,Gergert E,Forster F,Bendounan A,Reinert F,Zhang Z
EUROPEAN PHYSICAL LETTERS
DOI: 78(5):57003MAY 16 2007
PDF
[8]Superhard Pseudocubic BC2N Superlattices
Chen SY,Gong XG,Wei SH
PHYSICAL REVIEW LETTERS
DOI: 98 (1):Art. No. 015502 JAN 1 2007
PDF
[9]A nanocontainer for the storage of hydrogen
Ye X,Gu X,Gong XG,Shing K M Tony,Liu ZF
CARBON
DOI: 45 (2):315-320 FEB 2007
PDF
[10]Empirical potential for the interaction between molecular hydrogen and graphite
Sun DY,Liu JW,Gong XG,Liu ZF
PHYSICAL REVIEW B
DOI: 75 (7):Art. No. 075424 FEB 26 2007
PDF
[11]Molecular dynamics study of radial pressure transmission in multiwalled carbon nanotubes
Ye X,Sun DY,Gong XG
PHYSICAL REVIEW B
DOI: 75 (7):Art. No. 0734406 FEB 7 2007
PDF
[12]Effect of Al addition on the microstructure and electronic structure of HfO2 film
Wang XF,Li Q,Egerton RF,Lee PF,Dai JY,Hou ZF,Gong XG
JOURNAL OF APPLIED PHYSICS
DOI: 101(1):Art. No. 013514 JAN 20 2007
PDF

2006 download
[1]Structures and magnetic moments of Ni n (n=10~60) clusters
Yao HY,Gu X,Ji M,Gong XG,Wang DS
PHYSICS LETTERS A
DOI: 360 (4-5):629-631 SEP 1 2006
PDF
[2]First-principles study of metal atoms adsorbed on SiO2 surface
Yao HY,Gu X,Ji M,Zhang DE,Gong XG
ACTA PHYSICA SINICA
DOI: 55 (11):6042-6046 NOV 2006
PDF
[3]Sharp Corners in the Cross Section of Ultrathin Si Nanowires
Cao JX,Gong XG,Zhong JX,Wu RQ
PHYSICAL REVIEW LETTERS
DOI: 97 (13):Art. No. 136105 SEP 27 2006
PDF
[4]First-principles study of interaction of cluster Au-32 with CO,H-2,and O-2
Wang Y,Gong XG
JOURNAL OF CHEMICAL PHYSICS 1
DOI: 25 (12):Art. No. 124703 SEP 28 2006
PDF
[5]Neutral and negatively charged Al12X (X=Si,Ge,Sn,Pb) clusters studied from first principles
Li SF,Gong XG
PHYSICAL REVIEW B
DOI: 74 (4):Art. No. 045432 JUL 2006
PDF
[6]Ab initio all-electron calculation of absolute volume deformation potentials of IV-IV,III-V,and II-VI semiconductors:The chemical trends
Li YH,Gong XG,Wei SH
PHYSICAL REVIEW B
DOI: 73 (24):Art. No. 245206 JUN 2006
PDF
[7]Phenomenological band structure model of magnetic coupling in semiconductors
Dalpian GA,Wei SH,Gong XG,da Silva AJR,Fazzio A
SOLID STATE COMMUNICATIONS
DOI: 138 (7):353-358 2006
PDF
[8]Ab initio studies on the reaction of O-2 with Ba-n (n=2,5) clusters
Li SF,Xue X,Chen G,Yuan DW,Jia Y,Gong XG
JOURNAL OF CHEMICAL PHYSICS
DOI: 124 (22):Art. No. 224711 JUN 14 2006
PDF
[9]Effects of Al addition on the native defects in hafnia
Li Q,Koo KM,Lau WM,Lee PF,Dai JY,Hou ZF,Gong XG
APPLIED PHYSICS LETTERS
DOI: 88 (18):Art. No. 182903 MAY 1 2006
PDF
[10]Stable cubic metal-semiconductor alloy clusters:X4Y4 (X=Cu,Ag,Au,Ti; Y=C,Si)
Li SF,Xue XL,Jia Y,Zhao GF,Zhang MF,Gong XG
PHYSICAL REVIEW B
DOI: 73 (16):Art. No. 165401 APR 2006
PDF
[11]Structural and electronic properties of Al7In (n=1,2,3)
Wei SH,Huang L,Ji M,Gong XG
CHEMICAL PHYSICS LETTERS
DOI: 420 (1-3):125-129 MAR 10 2006
PDF
[12]Ab initio calculation of hydrostatic absolute deformation potential of semiconductors
Li YH,Gong XG,Wei SH
APPLIED PHYSICS LETTERS
DOI: 88 (4):Art. No. 042104 JAN 23 2006
PDF
[13]Surface mobility difference between Si and Ge and its effect on growth of SiGe alloy films and islands
Huang L,Liu F,Lu GH,Gong XG
PHYSICAL REVIEW LETTERS
DOI: 96 (1):Art. No. 016103 JAN 13 2006
PDF

2005 download
[1]Experimental and theoretical investigation of the electronic and geometrical structures of the Au-32 cluster
Ji M,Gu X,Li X,Gong XG,Li J,Wang LS
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
DOI: 44 (43):7119-7123 2005
PDF
[2]Adsorption,segregation,and magnetization of a single Mn adatom on the GaAs(110) surface
Cao JX,Gong XG,Wu RQ
PHYSICAL REVIEW B
DOI: 72 (15):Art. No. 153410 OCT 2005
PDF
[3]Superheated melting of grain boundaries
Fan W,Gong XG
PHYSICAL REVIEW B
DOI: 72 (6):Art. No. 064121 AUG 2005
PDF
[4]Theoretical study of the adsorption of H-2 on (3,3) carbon nanotubes
Chen G,Gong XG,Chan CT
PHYSICAL REVIEW B
DOI: 72 (4):Art. No. 045444 JUL 2005
PDF
[5]Pressure-induced structural transition of double-walled carbon nanotubes
Ye X,Sun DY,Gong XG
PHYSICAL REVIEW B
DOI: 72 (3):Art. No. 035454 JUL 2005
PDF
[6]First-principles study of neutral and charged silver clusters
Wang Y,Gong XG
EUROPEAN PHYSICAL JOURNAL D
DOI: 34 (1-3):19-22 JUL 2005
PDF
[7]First-principles studies on the reactions of O-2 with silicon clusters
Li SF,Gong XG
JOURNAL OF CHEMICAL PHYSICS
DOI: 122 (17):Art. No. 174311 MAY 1 2005
PDF
[8]First-principles study of Mn-induced local magnetic moments in host semiconductors
Wei SH,Gong XG,Dalpian GM,Wei SH
PHYSICAL REVIEW B 71
DOI: (14):Art. No. 144409 APR 2005
PDF

2004 download
[1]AuN clusters (N = 32,33,34,35):Cagelike structures of pure metal atoms
Gu X,Ji M,Wei SH,Gong XG
PHYSICAL REVIEW B
DOI: 70 (20):Art. No. 205401 NOV 2 2004
PDF
[2]Pressure-induced hard-to-soft transition of a single carbon nanotube
Sun DY,Shu DJ,Ji M,Liu F,Wang M,Gong XG
PHYSICAL REVIEW B
DOI: 70 (16):Art. No. 165417 OCT 22 2004
PDF
[3]Strain effect on adatom binding and diffusion in homo- and heteroepitaxies of Si and Ge on (001) surfaces
Huang L,Liu F,Gong XG
PHYSICAL REVIEW B
DOI: 70 (15):Art. No. 155320 OCT 22 2004
PDF
[4]Structures and Properties of Ni Nanowires
Zhang HY,Gu X,Zhang XH,Ye X,Gong XG
PHYSICS LETTERS A
DOI: 331 (5):332-336 OCT 25 2004
PDF
[5]Comment on "Collapse of single-wall carbon nanotubes is diameter dependent"
Zhang XH,Liu ZF,Gong XG
PHYSICAL REVIEW LETTERS
DOI: 93 (14):Art. No. 149601 OCT 1 2004
PDF
[6]Size-dependent periodically twinned ZnSe nanowires
Li Q,Gong XG,Wang CR,Wang J,Ip K,Hark S
ADVANCED MATERIALS
DOI: 16 (16):1436-1440 AUG 18 2004
PDF
[7]Charge-induced structural changes in Al12C clusters
Li SF,Gong XG
PHYSICAL REVIEW B
DOI: 70 (7):Art. No. 075404 AUG 2004
PDF
[8]Monte Carlo simulation of surface de-alloying of Au/Ni(110)
Fan W,Gong XG
SURFACE SCIENCE
DOI: 562 (1-3):219-225 AUG 1 2004
PDF
[9]Structure and phase transitions of single-wall carbon nanotube bundles under hydrostatic pressure
Zhang XH,Sun DY,Liu ZF,Gong XG
PHYSICAL REVIEW B
DOI: 70 (3):Art. No. 035422 JUL 2004
PDF
[10]Adsorption of a carbon atom on the Ni38 magic cluster and three low-index nickel surfaces:A comparative first-principles study
Zhang QM,Wells JC,Gong XG,Zhang ZY
PHYSICAL REVIEW B
DOI: 69 (20):Art. No. 205413 MAY 2004
PDF
[11]Ab initio study on structural and electronic properties of BanOm clusters
Chen G,Liu ZF,Gong XG
JOURNAL OF CHEMICAL PHYSICS
DOI: 120 (17):8020-8024 MAY 1 2004
PDF
[12]Ab initio molecular dynamics simulation on nano-system under external pressure
Ji M,Sun DY,Gong XG
SCIENCE IN CHINA SERIES A-MATHEMATICS
DOI: 47:92-100 Suppl. S APR 2004
PDF
[13]Teracluster LSSC-II:Its designing principles and applications in large scale numerical simulations
Zhang LB,Chen SY,Li XL,Cao JW,Zhang WS,Gong XG
SCIENCE IN CHINA SERIES A-MATHEMATICS
DOI: 47:53-68 Suppl. S APR 2004
PDF
[14]Computational design of carbon nanotube electromechanical pressure sensors
Wu J,Zang J,Larade B,Guo H,Gong XG,Liu F
PHYSICAL REVIEW B
DOI: 69 (15):Art. No. 153406 APR 2004
PDF
[15]Ab initio molecular dynamics simulation on temperature-dependent properties of Al-Si liquid alloy
Ji M,Gong XG
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 16 (15):2507-2514 APR 21 2004
PDF
[16]Pressure-driven confinement of hydrogen molecules between graphene sheets in the regime of van der Waals repulsion
Chan SP,Ji M,Gong XG,Liu ZF
PHYSICAL REVIEW B
DOI: 69 (9):Art. No. 092101 MAR 5 2004
PDF

2003 download
[1]Relative stability of missing-row reconstructed (110) surfaces of noble metals
Nduwimana A,Gong XG,Wang XQ
APPLIED SURFACE SCIENCE
DOI: 219 (1-2):129-135 OCT 15 2003
PDF
[2]Simulation of Ni cluster diffusion on Au(110)-(1 x 2) surface
Fan W,Gong XG
APPLIED SURFACE SCIENCE
DOI: 219 (1-2):117-122 OCT 15 2003
PDF
[3]Carbon nanotube bundles under high pressure:Transformation to low-symmetry structures
Chan SP,Yim WL,Gong XG,Liu ZF
PHYSICAL REVIEW B 68
DOI: (7):Art. No. 075404 AUG 15 2003
PDF
[4]Chemisorption of NO2 on carbon nanotubes
Yim WL,Gong XG,Liu ZF
JOURNAL OF PHYSICAL CHEMISTRY B
DOI: 107 (35):9363-9369 SEP 4 2003
PDF
[5]Structural transition in BanOm clusters
Chen G,Liu ZF,Gong XG
PHYSICAL REVIEW B 67
DOI: (20):art. no. 205415 MAY 15 2003
PDF
[6]Local bias potential in hyper molecular dynamics method
Duan XM,Gong XG
COMPUTATIONAL MATERIALS SCIENCE
DOI: 27 (3):375-380 MAY 2003
PDF
[7]Oxidation of carbon nanotubes by singlet O-2
Chan SP,Chen G,Gong XG,Liu ZF
PHYSICAL REVIEW LETTERS
DOI: 90 (8):art. no. 086403 FEB 28 2003
PDF

2002 download
[1]Instability of an atomic chain arising from lattice misfit
Fan W,Gong XG,Lau WM
PHYSICAL REVIEW B
DOI: 66 (11):art. no. 115418 SEP 15 2002
PDF
[2]A new constant-pressure molecular dynamics method for finite systems
Sun DY,Gong XG
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 14 (26):L487-L493 JUL 8 2002
PDF
[3]Local strain induced anisotropic diffusion on (23x root 3)-Au(111) surface
Liu YB,Sun DY,Gong XG
SURFACE SCIENCE
DOI: 498 (3):337-342 FEB 10 2002
PDF
[4]Structures and stability of Al7C and Al7N clusters
Sun Q,Wang Q,Gong XG,Kumar V,Kawazoe Y
EUROPEAN PHYSICAL JOURNAL D
DOI: 18 (1):77-81 JAN 2002
PDF
[5]Structure and growth modes of (BaO)(n) (n <= 9) clusters
Chen G,Liu ZF,Gong XG
JOURNAL OF CHEMICAL PHYSICS
DOI: 116 (4):1339-1342 JAN 22 2002
PDF

2001 download
[1]Simple generic method for predicting the effect of strain on surface diffusion
Shu DJ,Liu F,Gong XG
PHYSICAL REVIEW B
DOI: 64 (24):art. no. 245410 DEC 15 2001
PDF
[2]Chemisorption of hydrogen molecules on carbon nanotubes under high pressure
Chan SP,Chen G,Gong XG,Liu ZF
PHYSICAL REVIEW LETTERS
DOI: 87 (20):art. no. 205502 NOV 12 2001
PDF
[3]Structures and its evolution of Ba-n (n=2 similar to 14) clusters
Chen G,Liu ZF,Gong XG
EUROPEAN PHYSICAL JOURNAL D
DOI: 16 (1-3):33-36 SEP 2001
PDF
[4]Curvature effect on surface diffusion:The nanotube
Shu DJ,Gong XG
JOURNAL OF CHEMICAL PHYSICS
DOI: 114 (24):10922-10926 JUN 22 2001
PDF
[5]Electronic structure and magnetic properties of Ni clusters
Duan HM,Gong XG,Zheng QQ,Lin HQ
JOURNAL OF APPLIED PHYSICS
DOI: 89 (11):7308-7310,Part 2 JUN 1 2001
PDF
[6]Soft and hard shells in metallic nanocrystals
Sun DY,Gong XG,Wang XQ
PHYSICAL REVIEW B
DOI: 63 (19):art. no. 193412 MAY 15 2001
PDF
[7]Hypermolecular dynamics simulations of monovacancy diffusion
Duan XM,Sun DY,Gong XG
COMPUTATIONAL MATERIALS SCIENCE
DOI: 20 (2):151-156 FEB 2001
PDF
[8]Metallic coverings of calcium on C-60
Gong XG,Kumar V
CHEMICAL PHYSICS LETTERS
DOI: 334 (4-6):238-244 FEB 9 2001
PDF

2000 download
[1]First-principles study on the intrinsic stability of the magic Fe13O8 Cluster (vol 61,pg 5781,2000)
Sun Q,Wang Q,Parlinski K,Yu JZ,Hashi Y,Gong XG,Kawazoe Y
PHYSICAL REVIEW B
DOI: 62 (23):16176-16176 DEC 15 2000
PDF
[2]Atomic and electronic shells of Al-77
Gong XG,Sun DY,Wang XQ
PHYSICAL REVIEW B
DOI: 62 (23):15413-15416 DEC 15 2000
PDF
[3]A density-functional study of small titanium clusters
Wei SH,Zeng Z,You JQ,Yan XH,Gong XG
JOURNAL OF CHEMICAL PHYSICS
DOI: 113 (24):11127-11133 DEC 22 2000
PDF
[4]Efficiency of generalized simulated annealing
Xiang Y,Gong XG
PHYSICAL REVIEW E
DOI: 62 (3):4473-4476,Part B SEP 2000
PDF
[5]\CDƹ\E3ģ\C4\E2\CD˻𷽷\A8\BC\B0\C6\E4Ӧ\D3\C3
Xiang Y,Gong XG
\CE\EF\C0\EDѧ\BD\F8չ(PROGRESS IN PHYSICS)
DOI: 20 (3):319-334 SEP 2000
PDF
[6]Electronic structure of cluster-assembled Al12C (Si) solid
Quan HJ,Gong XG
CHINESE PHYSICS
DOI: 9 (9):656-660 SEP 2000
PDF
[7]Surface trapping of hyperthermal particles:A molecular dynamics simulation
Duan XM,Gong XG
PHYSICA STATUS SOLIDI B-BASIC RESEARCH
DOI: 220 (2):869-874 AUG 2000
PDF
[8]Deposition of small clusters on surface:A molecular dynamics simulation
Duan XM,Gong XG
CHINESE PHYSICS LETTERS
DOI: 17 (6):416-418 2000
PDF
[9]Generalized simulated annealing studies on structures and properties of Ni-n (n=2-55) clusters
Xiang Y,Sun DY,Gong XG
JOURNAL OF PHYSICAL CHEMISTRY A
DOI: 104 (12):2746-2751 MAR 30 2000
PDF
[10]First-principles studies on the intrinsic stability of the magic Fe13O8 cluster
Sun Q,Wang Q,Parlinski K,Yu JZ,Hashi Y,Gong XG,Kawazoe Y
PHYSICAL REVIEW B
DOI: 61 (8):5781-5785 FEB 15 2000
PDF
[11]Electronic structure study of the magnetoresistance material CaCu3Mn4O12 by LSDA and LSDA+U
Wu H,Zheng QQ,Gong XG
PHYSICAL REVIEW B
DOI: 61 (8):5217-5222 FEB 15 2000
PDF
[12]Cluster on the fcc(111) surface:structure,stability and diffusion
Sun DY,Gong XG
SURFACE SCIENCE
DOI: 445 (1):41-48 JAN 10 2000
PDF

1999 download
[1]Rolling:A fast diffusion mechanism for small clusters on a solid surface
Fan W,Gong XG,Lau WM
PHYSICAL REVIEW B
DOI: 60 (15):10727-10730 OCT 15 1999
PDF
[2]A molecular-dynamics study of the anisotropic surface-melting properties of Al(110)
Shu DJ,Sun DY,Gong XG,Lau WM
SURFACE SCIENCE
DOI: 441 (1):206-212 OCT 20 1999
PDF
[3]Interatomic potential fitted for lead
Sun DY,Xiang Y,Gong XG
PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES
DOI: 79 (8):1953-1961 AUG 1999
PDF
[4]The electronic structure of CaCuO2 and SrCuO2
Wu H,Zheng QQ,Gong XG,Lin HQ
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 11 (24):4637-4646 JUN 21 1999
PDF
[5]Molecular dynamics study on the structural changes of the tilt grain boundary in aluminium
Fan W,He YZ,Gong XG
PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES
DOI: 79 (6):1321-1333 JUN 1999
PDF
[6]Hyper molecular dynamics with a local bias potential
Gong XG,Wilkins JW
PHYSICAL REVIEW B
DOI: 59 (1):54-57 JAN 1 1999
PDF

1998 download
[1]Ground state properties of a high-spin Mn12O12 molecule in an organic compound
Wang SY,Zou LJ,Gong XG,Zheng QQ,Lin HQ
JOURNAL OF APPLIED PHYSICS
DOI: 83 (11):7100-7102,Part 2 JUN 1 1998
PDF
[2]Different melting behavior of lead surfaces
Sun DY,Shu DJ,Gong XG,Lau LWM
SOLID STATE COMMUNICATIONS
DOI: 108 (6):383-387 1998
PDF
[3]Structural properties and glass transition in Al-n clusters
Sun DY,Gong XG
PHYSICAL REVIEW B
DOI: 57 (8):4730-4735 FEB 15 1998
PDF

1997 download
[1]The structure and stability of clusters on surfaces
Sun DY,Gong XG
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 9 (48):10555-10565 DEC 1 1997
PDF
[2]Generalized simulated annealing algorithm and its application to the Thomson model
Xiang Y,Sun DY,Fan W,Gong XG
PHYSICS LETTERS A
DOI: 233 (3):216-220 AUG 25 1997
PDF
[3]Structure and dynamic properties of neutral and ionized SiH5 and Si2H3
Gong XG,Guenzburger D,Saitovitch EB
CHEMICAL PHYSICS LETTERS
DOI: 275 (3-4):392-398 AUG 29 1997
PDF
[4]Structure and stability of cluster-assembled solid Al12C(Si):A first-principles study
Gong XG
PHYSICAL REVIEW B
DOI: 56 (3):1091-1094 JUL 15 1997
PDF
[5]Local magnetism in nanoscale metallic grains
Zou LJ,Zheng QQ,Gong XG
CHINESE PHYSICS LETTERS
DOI: 14 (5):383-386 1997

1996 download
[1]Molecular-dynamics study on the equilibrium structure and the stability of a cluster dimer
Sun DY,Gong XG
PHYSICAL REVIEW B
DOI: 54 (23):17051-17056 DEC 15 1996
PDF
[2]Molecular dynamics on the liquid silicon
Sun DY,Gong XG
PROGRESS IN LIQUID PHYSICS
DOI: Lu KQ,Zou XW(ed):33-38 1996
PDF
[3]Can the cluster liquid exist?
Sun DY,Gong XG
PROGRESS IN LIQUID PHYSICS
DOI: Lu KQ,Zou XW(ed):29-33 1996
PDF
[4]Local magnetic properties and electronic structures of 3d and 4d impurities in Cu clusters
Sun Q,Gong XG,Zheng QQ,Sun DY,Wang GH
PHYSICAL REVIEW B
DOI: 54 (15):10896-10904 OCT 15 1996
PDF
[5]The magnetic properties of Fe-3 TMB clusters
Sun Q,Gong XG,Zheng QQ,Wang GH
PHYSICA B
DOI: 222 (1-3):247-251 MAY 1996
PDF
[6]Giant magnetoresistance induced by spin-correlation scattering in magnetic thin films and other compounds
Zou LJ,Gong XG,Zheng QQ,Pan CY
JOURNAL OF APPLIED PHYSICS
DOI: 79 (8):5162-5164,Part 2A APR 15 1996
PDF
[7]The structures and magnetic properties of small FenB clusters
Sun Q,Gong XG,Zheng QQ,Wang GH
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 8 (11):1805-1810 MAR 11 1996
PDF
[8]The magnetic properties of 4d impurities in Ag-n clusters
Sun Q,Gong XG,Zheng QQ,Wang GH
SOLID STATE COMMUNICATIONS
DOI: 97 (5):429-433 FEB 1996
PDF
[9]The formation of local magnetism in clusters
Sun Q,Gong XG,Zheng QQ,Wang GH
SCIENCE IN CHINA (SERIES A)
DOI: 26,1032 1996
PDF
[10]The first-principle study of the structure and magnetic properties of Fe-B clusters
Sun Q,Gong XG,Zheng QQ,Wang GH
ACTA PHYSICA SINICA
DOI: 45:1146 1996
PDF

1995 download
[1]First-principles study of the magnetic-properties of 4D impurities in Cu-n clusters
Sun Q,Gong XG,Zheng QQ,Wang GH
PHYSICS LETTERS A
DOI: 209 (3-4):249-253 DEC 18 1995
PDF
[2]Stability and electronic-properties of nanoscale silicon clusters
Gong XG
PHYSICAL REVIEW B
DOI: 52 (20):14677-14681 NOV 15 1995
PDF
[3]Size-dependence of the local magnetic-moments in finite system
Zou LJ,Gong XG,Zheng QQ,Pan CY
IEEE TRANSACTIONS ON MAGNETICS
DOI: 31 (6):4151-4153,Part 2 NOV 1995
PDF
[4]Electronic structures and stability of Si-60 and C-60-at-Si-60 clusters
Gong XG,Zheng QQ
PHYSICAL REVIEW B
DOI: 52 (7):4756-4759 AUG 15 1995
PDF
[5]Ab-initio molecular-dynamics studies of a Ga-13 cluster
Gong XG,Zheng QQ,Han RS
SOLID STATE COMMUNICATIONS
DOI: 94 (9):735-739 JUN 1995
PDF
[6]Local spin-density electronic-structures and magnetic-properties of small iron clusters
Gong XG,Zheng QQ
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 7 (12):2421-2428 MAR 20 1995
PDF
[7]Structural-properties of silicon clusters - an empirical potential study
Gong XG,Zheng QQ,He YZ
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 7 (3):577-584 JAN 16 1995
PDF
[8]Structure and properties of liquid gallium at high pressure
Gong XG
ACTA PHYSICA SINICA
DOI: 44:885 1995
PDF
[9]Electronic structure and relative stability of icosahedral clusters in aluminum-transition metal quasicrystal and approximates
Gong XG,Kumar V
PROC. 5TH INT. CONF. QUASICRYSTALS Janot C,Mosseri R
DOI: (eds):484-487 MAY 1995
PDF

1994 download
[1]Electronic structure and relative stability of icosahedral Al-transition-metal clusters
Gong XG,Kumar V
PHYSICAL REVIEW B
DOI: 50 (23):17701-17704 DEC 15 1994
PDF
[2]Cluster model studies on the electronic and magnetic properties of LaCo13 and La(FexAl1-x)(13) alloys
Zhang GW,Gong XG,Zheng QQ,Zhao JG
JOURNAL OF APPLIED PHYSICS
DOI: 76 (10):7037-7039,Part 2 NOV 15 1994
PDF

1993 download
[1]A theoretical-study of Si chemisorption on Ru(001) surface
Wei P,Gong XG,Qi ZQ
PHYSICA STATUS SOLIDI B-BASIC RESEARCH
DOI: 180 (1):127-134 NOV 1993
PDF
[2]Electronic-structures of magnesium clusters
Gong XG,Zheng QQ,He YZ
PHYSICS LETTERS A 181
DOI: (6):459-464 NOV 1 1993
PDF
[3]Enhanced stability of magic clusters - a case-study of icosahedral Al12X,X=B,Al,Ga,C,Si,Ge,Ti,As
Gong XG,Kumar V
PHYSICAL REVIEW LETTERS
DOI: 70 (14):2078-2081 APR 5 1993
PDF
[4]Coexistence of monatomic and diatomic molecular fluid character in liquid gallium
Gong XG,Chiarotti GL,Parrinello M,Tosatti E
EUROPHYSICS LETTERS
DOI: 21 (4):469-475 FEB 1 1993
PDF
[5]Hole distribution in YBCO superconductor-ionic model studies
Gong XG,Pan W,Zheng QQ
PHYSICA STATUS SOLIDI B-BASIC RESEARCH
DOI: 175 (1):197-202 JAN 1993
PDF
[6]Empirical-potential studies on the structural-properties of small silicon clusters
Gong XG
PHYSICAL REVIEW B
DOI: 47 (4):2329-2332 JAN 15 1993
PDF
[7]Electronic structure of solid gallium
Gong XG
ACTA PHYSICA SINICA
DOI: 42:619 1993
PDF
[8]Ab initio molecular-dynamics studies on the gallium clusters
Gong XG,Zheng QQ
ACTA PHYSICA SINICA
DOI: 42:244 1993
PDF
[9]Pressure induced hole redistribution in YBCO
Gong XG,Pan W,Zheng QQ
CHINESE JOURNAL OF LOW TEMPERATURE PHYSICS
DOI: 15:419 1993
PDF

1992 download
[1]Structure of small gallium clusters
Gong XG,Tosatti E
PHYSICS LETTERS
DOI: A 166 (5-6):369-372 JUN 29 1992
PDF
[2]Molecular-dynamics study on small silicon clusters
Gong XG,Zheng QQ,He YZ
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS
DOI: 9:721 1992
PDF
[3]Calculation of symmetry coefficients in complex cluster
Gong XG,Zheng QQ,Pan W
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS
DOI: 9:512 1992
PDF

1991 download
[1]Alpha-gallium - a metallic molecular-crystal
Gong XG,Chiarotti GL,Parrinello M,Tosatti E
PHYSICAL REVIEW B
DOI: 43 (17):14277-14280 JUN 15 1991
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Before 1990 download
[1]Electronic structure of light impurities in alpha-Fe and V
Gong XG,Zeng Z,Zheng QQ
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 1 (41):7577-7582 OCT 16 1989
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[2]The electronic structure of the surface of the superconductor YBa2Cu3O7
Gong XG,Zheng QQ
JOURNAL OF PHYSICS-CONDENSED MATTER
DOI: 1 (3):593-598 JAN 23 1989
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[3]A theoretical study of electronic structure for twin stacking faults in silicon
Gong XG,Zheng QQ,Han RS
SOLID STATE COMMUNICATIONS
DOI: 62:65 1987
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[4]Self-consistent cluster calculation of electronic structure and energy for hydrogen and carbon impurities in bcc iron
Gong XG,Zeng Z,Zheng QQ
STATISTICAL PHYSICS AND CONDENSED MATTER THEORY Xie XD
DOI: (ed):73 World Scientific 1986
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