Ab initio molecular dynamics simulation on the aggregation of a Cu monolayer on a WN(001) surface

Journal of Physical Chemistry C

Volumn 112, Issue 26, 2008, Pages 9798-9802

  Han, Bo ^a   Wu, Jinping ^a   Zhou, Chenggang ^a   Li, Jiaye ^a   Lei, Xinjian ^b   Norman, John A T ^b   Gaffney, Thomas R ^b   Gordon, Roy ^c   Roberts, David A ^b   Cheng, Hansong ^b  

^a CHINA UNIVERSITY OF GEOSCIENCES   (China)

^b AIR PRODUCTS AND CHEMICALS INC   (United States)

^c HARVARD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS SIMULATION; AB INITIO MOLECULAR DYNAMICS SIMULATIONS; ACTIVATION BARRIERS; ATOMIC LAYER DEPOSITION (ALD; CLUSTER SIZES; COPPER CLUSTERS; COPPER FILMS; DYNAMIC BEHAVIORS; EXPERIMENTAL OBSERVATIONS; FIRST-PRINCIPLES SIMULATIONS; OPERATING TEMPERATURES; ROOM TEMPERATURES; THREE-DIMENSIONAL CLUSTERS;

ACTIVATION ENERGY; ATOMIC LAYER DEPOSITION; COPPER; DYNAMICS; ELECTRON ENERGY LEVELS; MOLECULAR DYNAMICS; NANOFLUIDICS; PHYSICAL VAPOR DEPOSITION; PULSED LASER DEPOSITION; QUANTUM CHEMISTRY; THREE DIMENSIONAL;

AGGLOMERATION;

EID: 53549121686     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp802979b     Document Type: Article

References (15)

1. Guo, Y.; Li, T. in Proceedings of the Third International Conference on Experimental Mechanics, Wu, X.; Qin, Y.; Fang, J.; Ke, J. Eds.; Proc. SPIE: 2002; p 14, Vol 4537.
2. Lloyd, J. R.; Clement, J. J. Thin Solid Films 1995, 262, 135.
3. Kaloyeros, A. E.; Eisenbraun, E. Ann. Rev. Mat. Sci. 2000, 30, 363.
4. Torres, J. Appl. Surf. Sci. 1995, 97, 112.
5. Becker, J. S.; Suh, S.; Wang, S. L.; Gordon, R. G. Chem. Mater. 2003, 15, 2969.
6. Becker, J. S.; Gordon, R. G. Appl. Phys. Lett. 2003, 82 (17), 2239.
7. Gordon, R. G.; Hausmann, D.; Kim, E.; Shepard, J. Chem. Vap. Depos. 2003, 9, 73.
8. Li, Z. W.; Gordon, R. G.; Farmer, D. B.; Lin, Y. B.; Vlassak, J. Electrochem. Solid-State Lett. 2005, 8 (7), G182-G185.
9. Wu, J.; Han, B.; Zhou, G.; Ui, X.; Gafrhey, T. R.; Norman, J. A. T.; Li, Z.; Gordon, R.; Cheng, H. J. Phys. Chem. C 2007, 111, 9403.
10. Perdew, J. P.; Wang, Y. Phys. Rev. B 1992, 45, 13244.
11. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1992, 46, 6671.
12. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
13. Ordejón, P.; Artacho, E.; Cachau, R.; Gale, J.; García, A.; Junquera, J.; Kohanoff, J.; Machado, M.; Sánchez-Portal, D.; Soler, J. M.; Weht, R. Proc. MRS Symp. 2001, 677, AA9.6.12001.
14. Machado, E.; Kaczmarski, M.; Ordejón, P.; Garg, D.; Norman, J.; Cheng, H. Langmuir 2005, 21, 7608.
15. Soler, J. M.; Artacho, E.; Gale, J. D.; Garcia, A.; Junquera, J.; Ordejón, P.; Sánchez-Portal, D. J. Phys.: Condens. Matter 2002, 14, 2745.