A First-Principles Study of the Soft-Landing of $$\mathrm{{Au}}_{16}$$ on Graphite
作者： Andrew James Logsdail
DOI: 10.1007/978-3-319-01493-7_4
关键词:
摘要: Recent efforts in cluster science have focused on phenomena associated with nanocluster-substrate interactions [1].
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K. Rytkönen, J. Akola, M. Manninen, Sodium atoms and clusters on graphite by density functional theory Physical Review B. ,vol. 69, pp. 205404- ,(2004) , 10.1103/PHYSREVB.69.205404
Frank Jensen, Introduction to Computational Chemistry ,(2006)
Robert G. Parr, Density-functional theory of atoms and molecules ,(1989)
M. Haruta, S. Tsubota, T. Kobayashi, H. Kageyama, M.J. Genet, B. Delmon, Low-Temperature Oxidation of CO over Gold Supported on TiO2, α-Fe2O3, and Co3O4 Journal of Catalysis. ,vol. 144, pp. 175- 192 ,(1993) , 10.1006/JCAT.1993.1322
Gianluca Santarossa, Angelo Vargas, Marcella Iannuzzi, Alfons Baiker, Free energy surface of two- and three-dimensional transitions of Au 12 nanoclusters obtained by ab initio metadynamics Physical Review B. ,vol. 81, pp. 174205- ,(2010) , 10.1103/PHYSREVB.81.174205
J Enkovaara, C Rostgaard, J J Mortensen, J Chen, M Dułak, L Ferrighi, J Gavnholt, C Glinsvad, V Haikola, H A Hansen, H H Kristoffersen, M Kuisma, A H Larsen, L Lehtovaara, M Ljungberg, O Lopez-Acevedo, P G Moses, J Ojanen, T Olsen, V Petzold, N A Romero, J Stausholm-Møller, M Strange, G A Tritsaris, M Vanin, M Walter, B Hammer, H Häkkinen, G K H Madsen, R M Nieminen, J K Nørskov, M Puska, T T Rantala, J Schiøtz, K S Thygesen, K W Jacobsen, Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method Journal of Physics: Condensed Matter. ,vol. 22, pp. 253202- 253202 ,(2010) , 10.1088/0953-8984/22/25/253202
P. E. Blöchl, Projector augmented-wave method Physical Review B. ,vol. 50, pp. 17953- 17979 ,(1994) , 10.1103/PHYSREVB.50.17953
Guangyu Sun, Miklos Kertesz, Jenõ Kürti, Ray H. Baughman, Dimensional change as a function of charge injection in graphite intercalation compounds: A density functional theory study Physical Review B. ,vol. 68, pp. 1254111- 1254117 ,(2003) , 10.1103/PHYSREVB.68.125411
P. Giannozzi, R. Car, G. Scoles, OXYGEN ADSORPTION ON GRAPHITE AND NANOTUBES Journal of Chemical Physics. ,vol. 118, pp. 1003- 1006 ,(2003) , 10.1063/1.1536636
Sami Malola, Hannu Häkkinen, Pekka Koskinen, Gold in graphene: In-plane adsorption and diffusion Applied Physics Letters. ,vol. 94, pp. 043106- ,(2009) , 10.1063/1.3075216