Density Functional Theory Study of the Adsorption of Au Atom on Cerium Oxide: Effect of Low-Coordinated Surface Sites

2009 ◽  
Vol 113 (12) ◽  
pp. 4948-4954 ◽  
Author(s):  
Norberto J. Castellani ◽  
María M. Branda ◽  
Konstantin M. Neyman ◽  
Francesc Illas
Keyword(s):  
Density Functional Theory ◽  
Cerium Oxide ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Surface Sites

Charge inhomogeneity of graphene on SiO2: dispersion-corrected density functional theory study on the effect of reactive surface sites

RSC Advances ◽  
2014 ◽  
Vol 4 (70) ◽  
pp. 37236-37243 ◽  
Author(s):  
Jinhee Lee ◽  
Nodo Lee ◽  
Yves Lansac ◽  
Yun Hee Jang
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Surface Species ◽  
Functional Theory ◽  
Surface Sites ◽  
Reactive Surface

Reactive surface species present on SiO2 in a mixture with inert ones is one likely origin of charge puddles observed in supported graphenes.

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