理论催化研究组/李微雪研究员

Theoretical Catalysis Group / Prof. Wei-Xue Li

[中文]

2015 2014 2013 2012 2011 2010 2009 2008
2007 2006 2005 2004 2003 2002 98-01
92
  • Energetics and Core Level Shifts of Anion-Doped TiO2 Photocatalysts: a First Principles Study
  • W. C. Ding, W. X. Li
  • Chin. J. Catal., (accepted, May 20, 2014)
91
90
  • Supported Single Pt1/Au1 Atoms for Methanol Steam Reforming
  • X. K. Gu, B. T. Qiao, C. Q. Huang, W. C. Ding, K. J. Sun, E. S. Zhan, T. Zhang, J. Y. Liu, and W. X. Li
  • ACS Catalysis, 4 (2014), 3886–3890 (PDF)
89
  • Co–Co2C and Co–Co2C/AC Catalysts for Hydroformylation of 1-Hexene under Low Pressure: Experimental and Theoretical Studies
  • W. D. Dong, J. X. Liu, H. J. Zhu, Y. J. Ding*, Y. P. Pei, J. Liu, H. Du, M. Jiang, T. Liu, H. Y. Su and W. X. Li*
  • J. Phys. Chem. C, 118 (2014), 19114–19122 (PDF)
88
  • First-principles study of NO reduction by CO on transition metal atoms-doped CeO2(111)
  • W. C. Ding, W. X. Li
  • Chin. J. Catal., 35 (2014), 1937-1943 (PDF)
87
  • Following Molecules through Reactive Networks: Surface-Catalyzed Decomposition of Methanol on Pd(111), Pt(111), and Ni(111)
  • Z. C. Kramer, X. K. Gu, D. Y. Zhou, W. X. Li, and R. T. Skodje
  • J. Phys. Chem. C, 118 (2014) 12364–12383 (PDF)
86
  • Single Pd Atom Embedded in CeO2(111) for NO Reduction with CO: A First-Principles Study
  • W. C. Ding, X. K. Gu, H. Y. Su and W. X. Li
  • J. Phys. Chem. C, 118 (2014) 12216-12223 (PDF)
85
  • CO and NO-Induced Disintegration and Redispersion of Three-Way Catalysts Rhodium, Palladium and Platinum: an Ab Initio Thermodynamics Study
  • B. Goldsmith, E. Sanderson, R. H. Ouyang, W. X. Li
  • J. Phys. Chem. C, 118 (2014) 9588-9597 (PDF)
84
  • Crystal Plane-controlled Selectivity of Cu2O Catalysts in Propylene Oxidation with Molecular Oxygen
  • Q. Hua, T. Cao, X. K. Gu, J. Q. Lu, Z. Q. Jiang, X. R. Pan, L. F. Luo, W. X. Li and W. X. Huang
  • Angew. Chem. Int. Ed., 53 (2014) 4856 (PDF)
83
  • Stability of polar ZnO surfaces studied by pair potential method and local energy density method
  • K. J. Sun, H. Y. Su, W. X. Li
  • Theo. Chem. Acc.133 (2014) 1427 (PDF)
82
  • A first-principles study of C=O bond scission in multi-atomic molecules on flat and stepped metal surfaces
  • Y. H. Zhao, J. X. Liu, H. Y. Su, K. J. Sun, and W. X. Li
  • ChemCatChem, 6 (2014) 1755-1762 (../paper/82.pdf>PDF)
81
  • Atomistic Theory of Ostwald Ripening and Disintegration of Supported Metal Particles under Reaction Conditions
  • R. H. Ouyang, J. X. Liu, W. X. Li
  • J. Am. Chem. Soc. 135 (2013) 1760-1771 (PDF)
80
  • Crystallographic Dependence of CO Activation on Cobalt Catalysts: HCP versus FCC
  • J. X. Liu, H. Y. Su, D. P. Sun, B. Y. Zhang, W. X. Li
  • J. Am. Chem. Soc. 135 (2013) 16284–16287 (PDF)
79
  • Platinum-modulated Cobalt NanoCatalysts for Low Temperature Aqueous Phase Fischer-Tropsch Synthesis
  • H. Wang, W. Zhou, J. X. Liu, R. Si , G. Sun, M. Q. Zhong , H. Y. Su, H. B. Zhao, J. A. Rodriguez , S. J. Pennycook , J. C. Idrobo, W. X. Li, Y. Kou, D. Ma
  • J. Am. Chem. Soc. 135 (2013) 4149-4158 (PDF)
78
  • Mechanistic Studies of Water Electrolysis and Hydrogen Electro-Oxidation on High Temperature Ceria-Based Solid Oxide Electrochemical Cells
  • C. J. Zhang, M. Grass, Y. Yu, C. Dejoie, W. C. Ding, K. Gaskell, N. Jabeen, Y. P. Hong, A. Shavorskiy, H. Bluhm, W. X. Li, G. Jackson, Z. Hussain, Z. Liu, B. Eichhorn
  • J. Am. Chem. Soc. 135 (2013), 11572–11579 (PDF)
77
  • Growth of Single- and Bi-layer ZnO on Au(111) and Interaction with Copper
  • X. Y. Deng, K. Yao, K. J. Sun, W. X. Li, J. Lee, C. Matranga
  • J. Phys. Chem. C 117, (2013) 11211–11218 (PDF)
76
  • Structure sensitivity of CO methanation on Co (0001), (1012) and (1120) surfaces: Density Functional Theory calculations
  • J. X. Liu, H Y. Su, W. X. Li
  • Catal. Today, 215, (2013) 36-42 (PDF)
75
  • A First-Principles Study of Structural, Electronic Properties and Oxygen Binding of FeO/Pt(111) and FeO2/Pt(111)
  • D. P. Sun, W. X. Li
  • Chin. J. Catal. 34 (2013) 973–978 (PDF)
74
  • Ab initio atomistic thermodynamics study of Pt3Ni(111) surface under oxygen environments
  • D. P. Sun, Y. H. Zhao, H. Y. Su, W. X. Li
  • Chin. J. Catal. 34 (2013) 1434–1442 (PDF)
73
  • First-Principles Study of Water Activation on Cu-ZnO Catalysts
  • K. Yao, S. S. Wang, X. K. Gu, H. Y. Su, W. X. Li
  • Chin. J. Catal. 34 (2013) 1705-1711 (PDF)
72
  • CO induced change of adsorption site and charge of Au adatom on FeO(111)/Ru(0001)
  • R. H Ouyang, W. X. Li
  • Chin. J. Catal. 34 (2013) 1820-1825 (PDF)
71
  • Density functional theory study of ethylene hydroformylation on Rh(111) and RhCu(111) surface
  • X. F. Ma, Y. H. Zhao, H. Y. Su, W. X. Li
  • Chin. J. Catal. 33, 1706-1711 (2012) (PDF)
70
  • Effect of Pd Doping on Water Dissociation on ZnO(11-20) Surface
  • X. K. Gu, W. C. Ding, C. Q. Huang, W. X. Li
  • Chin. J. Catal. 33, 1427-1431 (2012) (PDF)
69
  • In- and Out-Dependent Interactions of Iron with Carbon Nanotubes
  • L. Yu, W. X. Li, X. L. Pan, X. H. Bao
  • J. Phys. Chem. C 116, 16461-16466 (2012) (PDF)
68
  • Theoretical Study of the Role of a Metal–Cation Ensemble at the Oxide–Metal Boundary on CO Oxidation
  • D. P. Sun, X. K. Gu, R. H. Ouyang, H. Y. Su, Q. Fu, X. H. Bao, W. X. Li
  • J. Phys. Chem. C 116, 7491-7498 (2012) (PDF)
67
  • Progress in studies of graphene growth mechanism on transition-metal surfaces (in Chinese,Invited Review Article)
  • X. F. Ma, K. J. Sun and W. X. Li
  • Chinese Sci. Bull. 57, 987-994 (2012) (PDF)
66
  • Kinetic study of acid-catalyzed cellulose hydrolysis in 1-butyl-3-methylimidazolium chloride
  • Z. H. Zhang, W. Q. Wang, X. Y. Liu, W. X. Li, H. B. Xie, and Z. B. Zhao
  • Bioresource Technology 112, 151-155 (2012) (PDF)
65
  • CO oxidation at the perimeters of an FeO/Pt(111) interface and how water promotes the activity: A first-principles study
  • X. K. Gu, R. H. Ouyang, D. P. Sun, H. Y. Su, and W. X. Li
  • ChemSusChem 5, 871-878 (2012) (PDF)
64
  • Structural and electronic properties of cobalt carbide Co2C and its surface stability: Density functional theory study
  • Y. H. Zhao, H. Y. Su, K. J. Sun, J. X. Liu, and W. X. Li
  • Surf. Sci. 606, 598-604 (2012) (PDF)
63
  • Force Reversed Method for Locating Transition States
  • K. J. Sun, Y. H. Zhao, H. Y. Su, W. X. Li
  • Theo. Chem. Acc. 131, 1118 (2012) (PDF)
62
  • Rh Decorated Cu Alloy Catalyst for Improved C2 Oxygenates Formation from Syngas
  • Y. H. Zhao, M. M. Yang, D. P. Sun, H. Y. Su, K. J. Sun, X. F. Ma, X. H. Bao, W. X. Li
  • J. Phys. Chem. C. 115, 18247 (2011) (PDF)
61
  • First-principles study of the adsorption of Au atom, Au2 and Au4 clusters on FeO/Pt(111)
  • R. H. Ouyang, W. X. Li
  • Phys. Rev. B. 84, 165403 (2011) (PDF)
60
  • In-situ Oxidation Study of Pt(110) and its Interaction with CO
  • D. R. Butcher, M. E. Grass, Z. H. Zeng, F. Aksoy, H. Bluhm, W. X. Li, B. S. Mun, G. A. Somorjai, Z. Liu
  • J. Am. Chem. Soc. 133, 20319-20325, (2011) (PDF)
59
  • Carbon Chain Growth via Formyl Insertion on Rh and Co Catalysts in Syngas Conversion
  • Y. H. Zhao, K. J. Sun, X. F. Ma, J. X. Liu, D. P. Sun, H. Y. Su, W. X. Li
  • Angew. Chem. Int. Ed. 50, 5335-5338 (2011) (PDF)
58
  • Towards N-doped graphene via solvothermal synthesis
  • D. H. Deng, X. L. Pan, Y. Cui, L. Yu, J. Qi, W.X. Li, Q. Fu, G. Q. Sun, X. H. Bao
  • Chem. Mater. 23(5), 1188-1193 (2011) (PDF)
57
  • Theoretical insight into the electronic, optical and photocatalytic properties of photocatalysts InMO4 (M = V, Nb, Ta)
  • G. L. Li, and Z. Yin
  • Phys. Chem. Chem. Phys., 13, 2824-2833 (2011) (PDF)
56
  • Size-selective carbon nano-clusters as precursors to the growth of epitaxial graphene
  • B. Wang, X. F. Ma, M. Caffio, R. Schaub, W.X. Li
  • Nano Lett. 11(2), 424-430 (2011) (PDF)
55
  • Structure evolution of Pt-3d transition metal alloys under reductive and oxidizing conditions and effect on the CO oxidation: a first-principles study
  • H. Y. Su, X. K. Gu, X. F. Ma, Y. H. Zhao, X. H. Bao, W.X. Li
  • Catalysis Today 165, 89-95 (2011) (PDF)
54
  • Carbon Monoxide Adsorption and Dissociation on Mn decorated Rh(111) and Rh(553) Surfaces: A first-principles study
  • X. F. Ma, H. Y. Su, W. X. Li
  • Catal. Today 160, 228-233 (2011) (PDF)
53
  • Crystal Facet Dependence of Water Oxidation on BiVO4 Sheets under Visible Light Irradiation
  • D. Wang, H. Jiang, X. Zong, Q. Xu, Y. Ma, G. L. Li, C. Li
  • Chem. Eur. J., 17, 1275-1282 (2011) (PDF)
52
  • Controllable Synthesis of Metal-Organic Frameworks: From MOF Nanorods to Oriented MOF Membranes
  • Y. S. Li, H. Bux, A. Feldoff, G. L. Li, W. S. Yang, J. Caro
  • Adv. Mater. 22, 3322-3326 (2010) (PDF)
51
  • Model Relation between the Energy-Band Edge and the Fermi Level of the Non-Degenerate Semiconductor TiO2: Application to Electrochemistry
  • G. L. Li, W.X. Li and C. Li
  • Phys. Rev. B 82, 235109 (2010) (PDF)
50
  • First-Principles Study on the Origin of the Different Selectivities for Methanol Steam Reforming on Cu(111) and Pd(111)
  • X. K. Gu and W. X. Li
  • J. Phys. Chem. C. 114, 21539-21547 (2010) (PDF)
49
  • Interface confined ferrous centers for catalytic oxidation
  • Q. Fu+, W. X. Li+, Y. X. Yao, H. Y. Liu, H. Y. Su, D. Ma, X. K. Gu, L. M. Chen, Z. Wang, H. Zhang, B. Wang, X. H. Bao**
  • Science 328, 1141-1144 (2010) (PDF)
48
  • A First Principles Study of Hydrogen Absorption on Mg(0001) and Formation of Magnesium Hydride
  • T. Jiang, L. X. Sun and W. X. Li
  • Phys. Rev. B 81, 035416 (2010) (PDF)
47
  • Theory of Nitride Oxide Adsorption on Transition Metal (111) Surfaces: A First-Principles Investigation
  • Z. H. Zeng, J. L. F. Da Silva, W. X. Li
  • Phys. Chem. Chem. Phys. 12, 2459 - 2470 (2010) (PDF)
46
45
  • Density functional theory and ab initio molecular dynamics study of NO adsorption on Pd(111) surface
  • Z. H. Zeng, J. L. F. Da Silva and W. X. Li
  • Phys. Rev. B 81, 085408 (2010) (PDF)
44
  • Band structure and Fermi surface of atomically uniform lead films
  • S. L. He, Z. H. Zeng, M. Arita, M. Sawada, K. Shimada, S. Qiao, G. L. Li, W. X. Li, Y. F. Zhang, Y. Zhang, X. C. Ma, J. F. Jia, Q. K. Xue, Q. J. Jia, H. H. Huang, H. Namatame, and M. Taniguchi
  • New. J. Phys. 12, 113034 (2010) (PDF)
43
  • In Situ UV Raman Spectroscopic Study on the Synthesis Mechanism of AlPO-5
  • F. T. Fan, Z. C. Feng, K. J. Sun, M. L. Guo, Q. Guo, Y. Song, W. X. Li and C. Li
  • Angew. Chem. Int. Ed. 48, 8743 (2009) (PDF)
42
  • A First-Principles Investigation of Surface and Subsurface H Adsorption on Ir(111)
  • H. Zhang and W. X. Li
  • J. Phys. Chem. C 113, 21361-21367 (2009) (PDF)
41
  • A Density Functional Theory Study of the Energetics, Electronic Structures, and Core Level Shifts of NO Adsorption on the Pt(111) Surface
  • Z. H. Zeng, J. L. F. Da Silva, H. Q. Deng, W. X. Li
  • Phys. Rev. B 79, 205413 (2009) (PDF)
40
  • Reversible structural modulation of Fe-Pt bimetallic surface and itseffect on reactivity
  • T. Ma, Q. Fu, H. Y. Su, H. Y. Liu, Y. Cui, Z. Wang, R. T. Mu, W. X. Li, and X. H. Bao
  • ChemPhysChem. 10, 1013-1016 (2009) (PDF)
39
  • A first-principles study of carbon monoxide oxidation on Ag(111) in presence of subsurface oxygen and stepped Ag(221)
  • H. Y. Su, Z. H. Zeng, X. H. Bao and W. X. Li
  • J. Phys. Chem. C 113, 8266-8272 (2009) (PDF)
38
37
  • Resonance Raman spectrum of Fe-AlPO4-5
  • K. J. Sun, W. X. Li, Z. C. Feng, C. Li
  • Acta. Phys. Chim. Sin. 25, 606610 (2009) (PDF)
36
  • Cooperative activation in ring-opening hydrolysis of epoxides by Co-salen complexes: A first principle density functional theory study
  • K. J. Sun, W. X. Li, Z. C. Feng, and C. Li
  • Chem. Phys. Lett. 470, 259 (2009) (PDF)
35
  • Atomic and molecular adsorption on Rh-Mn alloy surface: a first principles study
  • X. F. Ma, H. Q. Deng, M. M. Yang, and W. X. Li
  • J. Chem. Phys. 129,244711 (2008) (PDF)
34
  • The effect of water on CO oxidation on Ag(111) and Au(111) surfaces: A first principle study
  • H. Y. Su, M. M. Yang, X. H. Bao and W. X. Li
  • J. Phys. Chem. C 112, 17303 (2008) (PDF)
33
  • Framework Fe ions in Fe-ZSM-5 zeolite studied by UV resonance Raman spectroscopy and density functional theory calculations
  • K. J. Sun, F. T. Fan, H. A. Xia, Z. C. Feng, W. X. Li and C. Li
  • J. Phys. Chem. C 112, 16036 (2008) (PDF)
32
  • Step enhanced dehydrogenation of ethanol on Rh
  • A. Resta, J. Gustafson, R. Westerstrom, A. Mikkelsen, E. Lundgren and J. N. Andersen, M. M. Yang, X. F. Ma, X. H. Bao and W. X. Li
  • Surf. Sci., 602, 3057 (2008) (PDF)
31
  • Hydrolysis of ball milling Al–Bi–hydride and Al–Bi–salt mixture for hydrogen generation
  • M. Q. Fan, F. Xua, L. X. Suna, J. N. Zhao, T. Jiang, W. X. Li
  • J. Alloy. Comp. 460, 125 (2008) (PDF)
30
  • Density function theory Study of CO catalytic oxidation on Pt(111) Pt3Ni(111) surfaces
  • H. Y. Su, W. X. Li and X. H. Bao
  • Chin. J. Catal. 29, 683 (2008) (PDF)
29
  • Wavevector-dependent quantum-size effect in electron decay length at Pb thin film surfaces
  • X. Liu, S. B. Zhang, X. C. Ma, J. F. Jia, Q. K. Xue, X. H. Bao and W. X. Li
  • Appl. Phys. Lett., 93, 093105 (2008) (PDF)
28
  • Direct spectroscopic observation of Fe(III);phenolate complex formed from the reaction of benzene with peroxide species on Fe/ZSM-5 at room temperature
  • H. A. Xia, K. Q. Sun, K. J. Sun, Z. C. Feng, W. X. Li, and C. Li
  • J. Phys. Chem. C., 112, 9001 (2008) (PDF)
27
  • Oxidation of Ir(111): from O-Ir-O trilayer to bulk oxide formation
  • Y. B. He, A. Stierle, W. X. Li, A. Farkas, N. Kasper, and H. Over
  • J. Phys. Chem. C. 112, 11946(2008) (PDF)
26
  • Modulating the reactivity of Ni-containing Pt(111)-skin catalysts by density functional theory calculations
  • H. Y. Su, X. H. Bao, and W. X. Li
  • J. Chem. Phys., 128, 194707(2008) (PDF)
25
  • A density functional theory study on co-adsorption of CO and O on Rh(111) surface
  • M. M. Yang, X. H. Bao, W. X. Li
  • Chin. J. Catal., 29, 75 (2008) (PDF)
24
  • Oxidation of platinum surfaces and reaction with carbon monoxide (Topical Review)
  • W. X. Li
  • J. Phys. Condens. Matt. 20, 184002 (2008) (PDF)
23
  • Unique reactivity of confined metal atoms on silicon substrate
  • Y. X. Yao, X. Liu, Q. Fu, W. X. Li, D. L. Tan, and X. H. Bao
  • ChemPhysChem 9, 975-979 (2008) (PDF)
22
  • Chemical Processes on Solid Surfaces—Introduction to the 2007 Nobel Prize in Chemistry
  • X. F. Ma, H. Q. Deng, W. X. Li
  • Sci. &Techn. Rev. 25, 25 (2007) (in Chinese) (PDF)
21
  • Density Functional Theory Study of Hydrogen Dissociation on Ni-Doped Magnesium (0001) surface
  • T. Jiang, H. L. Chu, Y. N, Qi, W. X. Li, and L. X. Sun
  • Chin. J. Cata. 28, 1107 (2007) (PDF)
20
  • The improved electrochemical properties of novel La–Mg–Ni-based hydrogen storage composites
  • H. L. Chu, S. J. Qiu, L. X. Sun, Y. Zhang, F. Xu, T. Jiang, W. X. Li, M. Zhu, W. Y. Hu
  • Electrochim. Acta 52, 6700 (2007) (PDF)
19
  • Role of surface elastic relaxations in an O-induced nanopattern on Pt(110)-(1x2)
  • S. Helveg, W. X. Li, N. C. Bartelt, S. Horch, E. Laegsgaard, B. Hammer and F.Besenbacher
  • Phys. Rev. Lett. 98, 115501 (2007) (PDF)
18
17
  • First principles study of ethanol adsorption and formation of hydrogen bond on Rh(111) surface
  • M. M. Yang, X. H. Bao, and W. X. Li
  • J. Phys. Chem. C 111,7403 (2007) (PDF)
16
  • Density functional theory study of CHx (x=1-3)adsorption on clean and CO pre-covered Rh(111) surfaces
  • M. M. Yang, X. H. Bao and W. X. Li
  • J. Chem. Phys. 127, 024705 (2007) (PDF)
15
  • Structure and activity of oxidized Pt(110) and alpha-PtO2
  • T. M. Pedersen, W. X. Li and B. Hammer
  • Phys. Chem. Chem. Phys. 8, 1566 - 1574 (2006) (PDF)
14
  • Density function theory calculation of oxygen adsorption on Au (111) surface
  • Z. H. Zeng , H. Q. Deng , W. X. Li, W. Y. Hu
  • Act. Phys. Sin. 55, 3157 (2006) (in Chinese) (PDF)
13
  • Reactivity of gas/metal/metal-oxide three-phase boundary; the CO oxidation reaction at the Pt(111)-c(4x2)-2CO/α-PtO2 phase
  • W. X. Li and B. Hammer
  • Chem. Phys. Lett. 409, 1 (2005) (PDF)
12
  • One-dimensional PtO2 Oxide at Pt Steps: formation and reaction with CO
  • J. G. Wang, W. X. Li, M. Borg, J. Gustafson, A. Mikkelsen, T. M. Pedersen, E. Lundgren, J. Weissenrieder, J. Klikovits, M. Schmid, B. Hammer, and J. N. Andersen
  • Phys. Rev. Lett. 95, 256102 (2005) (PDF)
11
  • Two-step reaction on a strained, nanoscale segmented surface
  • C. Africh, F. Esch, W. X. Li, M. Corso, B. Hammer, R. Rosei, and G. Comelli
  • Phys. Rev. Lett. 93, 126104(2004) (PDF)
10
  • Oxidation of Pt(110)
  • W. X. Li, L. Osterlund, E. K. Vestergaard, R.T. Vang, J. Matthiesen, T.M. Pedersen, E. Lægsgaard, B.
  • Phys. Rev. Lett. 93, 146104(2004)(PDF)
9
  • CO desorption rate dependence on CO partial pressure over platinum fuel cell catalysts
  • J. C. Davies, R. M. Nielsen, L. B. Thomsen, I. Chorkendorff, Á. Logadóttir, Z. Lodziana, J. K. Nørskov, W. X. Li, B. Hammer, S. R. Longwitz, J. Schnadt E. K. Vestergaard, R. T. Vang, and F. Besenbacher
  • Fuel Cells 4, 309 (2004)(PDF)
8
  • Why is a noble metal catalytically active? The role of the O-Ag interaction in the function of silver as an oxidation catalyst
  • W. X. Li, C. Stampfl and M. Scheffler
  • Phys. Rev. Lett.90, 256102 (2003) (PDF)
7
  • Sub-surface oxygen and surface oxide formation at Ag(111): density functional theory investigation
  • W. X. Li, C. Stampfl and M. Scheffler
  • Phys. Rev. B 67, 045408 (2003)(PDF)
6
  • Insights into the function of silver as an oxidation catalyst by ab initio, atomistic thermodynamics
  • W. X. Li, C. Stampfl and M. Scheffler
  • Phys. Rev. B 68, 165412 (2003)(PDF)
5
  • The role of sub-surface oxygen in oxide formation at transition metal surfaces
  • M. Todorova, W. X. Li, M.V. Ganduglia-Pirovano, C. Stampfl, K. Reuter, and M. Scheffler
  • Phys. Rev. Lett. 89, 096103 (2002) (PDF)
4
  • Oxygen adsorption on Ag(111): density functional theory investigation
  • W. X. Li, C. Stampfl and M. Scheffler
  • Phys. Rev. B 65, 075407 (2002)(PDF)
3
  • Elasticity, stability and ideal strength of beta-SiC in plane-wave-based ab initio calculations
  • W. X. Li and T. C. Wang
  • Phys. Rev. B 59, 3993(1999)(PDF)
2
  • Theoretical investigation of epitaxial deformation and hcp-bcc transition of alkali metals
  • W. X. Li and T. C. Wang
  • Phys. Rev. B 60, 11954(1999).(PDF)
1
  • Ab initio investigations of elasticity and stability of aluminum
  • W. X. Li and T. C. Wang
  • J. Phys. Condens. Matter 10, 9889(1998)(PDF)
State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences,
Zhongshan Road 457, Dalian 116023, China