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In this paper, we use molecular dynamics simulation to analyze the diffusion and dissociation barriers of homogeneous (Cu2) and heterogeneous dimer (Ag2, Pd2) on the surface of Cu(100), (111) surface. We explore the diffusion and dissociation process and characteristics of those dimers on Cu surface and compare their diffusion and dissociation barriers of dimer, the binding energies of the dimer and substrate, substrate surface textures, temperatures, etc. The semiempirical EAM potential is used in the simulation.
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Keywords:
- dimer /
- molecular dynamics simulation /
- diffusion barrier /
- dissociation barrier
[1] Wang E G 2003 Prog. Phys. 1 1 (in Chinese) [王恩哥 2003 物理学进展 1 1]
[2] Zhang Z Y, Lagally M G 1997 Science 276 377
[3] Yang H L, Sun Q, Zhang Z Y, Jia Y 2007 Phys. Rev. B 76 115417
[4] Zhu W G, de Mongeot F B, Valbusa U, Wang E G, Zhang Z Y 2004 Phys. Rev. Lett. 92 106102
[5] Xiang S, Zhuang J, Liu L 1998 Acta Phys. Sin. 47 678 (in Chinese) [向嵩, 庄军, 刘磊 1998 47 678]
[6] Zhuang J, Liu L 1997 Acta Phys. Sin. 46 2418 (in Chinese) [庄军, 刘磊 1997 46 2418]
[7] Ferrón J, Miranda R, de Miguel J J 2009 Phys. Rev. B 79 245407
[8] Linderoth T R, Horch S, Lægsgaard E, Stensgaard I, Besenbacher F 1997 Phys. Rev. Lett. 78 4978
[9] Karimi M, Tomkowski T, Vidali G, Biham O 1995 Phys. Rev. B 52 5364
[10] Boisvert G, Lewis L J 1997 Phys. Rev. B 56 7643
[11] Yang J Y, Hu W Y, Tang J F, Xu M C 2008 J. Phys. Chem. C 112 2074
[12] Chang C M, Wei C M, Chen S P 2000 Phys. Rev. Lett. 85 1044
[13] Li Y G, Rarker T J, DePristo A E 1994 Phys. Rev. B 50 14742
[14] Graham W R, Ehrlich G 1973 Phys. Rev. Lett. 31 1407
[15] Panagiotides N, Papanicolaou N I 2010 Int. J. Quantum Chem. 110 202
[16] Jiang J X, Zhang P, Xie Y Q, Ning X J, Zhuang M, Li Y F, Zhuang J 2008 App. Surf. Sci. 254 5822
[17] Liu Q W, Sun Z H, Ning X J, Li Y F,Liu L, Zhuang J 2004 Surf. Sci. 554 25
[18] Kyuno K, Ehrlich G 2000 Phys. Rev. Lett. 84 2658
[19] Zhang Q Y, Ma T C, Pan Z Y, Tang J Y 2000 Acta Phys. Sin. 49 297 (in Chinese) [张庆瑜, 马腾才, 潘正瑛, 汤家镛 2000 49 297]
[20] Jensen P 1999 Rev. Mod. Phys. 71 1695
[21] Bockstedte M, Liu S J, Pankratov O, Woo C H 2002 Comput. Mater. Sci. 23 85
[22] Stumpf R, Scheffler M 1996 Phys. Rev. B 53 4958
[23] Markov I 1994 Phys. Rev. B 50 11271
[24] Li J Y, Li R W, Liu S J 2005 Journal of Beijing Normal University (Natural Science) 41 2418 (in Chinese) [李佳阳, 李融武, 刘绍军 2005 北京师范大学学报(自然科学版) 41 484]
[25] Cai J, Ye Y Y 1996 Phys. Rev. B 54 8398
[26] Zhuang J, Liu L 2000 Science in China A 30 740 (in Chinese) [庄军, 刘磊 2000 中国科学(A辑) 30 740]
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[1] Wang E G 2003 Prog. Phys. 1 1 (in Chinese) [王恩哥 2003 物理学进展 1 1]
[2] Zhang Z Y, Lagally M G 1997 Science 276 377
[3] Yang H L, Sun Q, Zhang Z Y, Jia Y 2007 Phys. Rev. B 76 115417
[4] Zhu W G, de Mongeot F B, Valbusa U, Wang E G, Zhang Z Y 2004 Phys. Rev. Lett. 92 106102
[5] Xiang S, Zhuang J, Liu L 1998 Acta Phys. Sin. 47 678 (in Chinese) [向嵩, 庄军, 刘磊 1998 47 678]
[6] Zhuang J, Liu L 1997 Acta Phys. Sin. 46 2418 (in Chinese) [庄军, 刘磊 1997 46 2418]
[7] Ferrón J, Miranda R, de Miguel J J 2009 Phys. Rev. B 79 245407
[8] Linderoth T R, Horch S, Lægsgaard E, Stensgaard I, Besenbacher F 1997 Phys. Rev. Lett. 78 4978
[9] Karimi M, Tomkowski T, Vidali G, Biham O 1995 Phys. Rev. B 52 5364
[10] Boisvert G, Lewis L J 1997 Phys. Rev. B 56 7643
[11] Yang J Y, Hu W Y, Tang J F, Xu M C 2008 J. Phys. Chem. C 112 2074
[12] Chang C M, Wei C M, Chen S P 2000 Phys. Rev. Lett. 85 1044
[13] Li Y G, Rarker T J, DePristo A E 1994 Phys. Rev. B 50 14742
[14] Graham W R, Ehrlich G 1973 Phys. Rev. Lett. 31 1407
[15] Panagiotides N, Papanicolaou N I 2010 Int. J. Quantum Chem. 110 202
[16] Jiang J X, Zhang P, Xie Y Q, Ning X J, Zhuang M, Li Y F, Zhuang J 2008 App. Surf. Sci. 254 5822
[17] Liu Q W, Sun Z H, Ning X J, Li Y F,Liu L, Zhuang J 2004 Surf. Sci. 554 25
[18] Kyuno K, Ehrlich G 2000 Phys. Rev. Lett. 84 2658
[19] Zhang Q Y, Ma T C, Pan Z Y, Tang J Y 2000 Acta Phys. Sin. 49 297 (in Chinese) [张庆瑜, 马腾才, 潘正瑛, 汤家镛 2000 49 297]
[20] Jensen P 1999 Rev. Mod. Phys. 71 1695
[21] Bockstedte M, Liu S J, Pankratov O, Woo C H 2002 Comput. Mater. Sci. 23 85
[22] Stumpf R, Scheffler M 1996 Phys. Rev. B 53 4958
[23] Markov I 1994 Phys. Rev. B 50 11271
[24] Li J Y, Li R W, Liu S J 2005 Journal of Beijing Normal University (Natural Science) 41 2418 (in Chinese) [李佳阳, 李融武, 刘绍军 2005 北京师范大学学报(自然科学版) 41 484]
[25] Cai J, Ye Y Y 1996 Phys. Rev. B 54 8398
[26] Zhuang J, Liu L 2000 Science in China A 30 740 (in Chinese) [庄军, 刘磊 2000 中国科学(A辑) 30 740]
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