CO Oxidation by Molecular and Atomic Oxygen on Ag(100): A Density Functional Theory Study

2017 ◽  
Vol 121 (5) ◽  
pp. 2635-2642 ◽  
Author(s):  
Xueling Lei ◽  
Godwin Mbamalu ◽  
Changyong Qin
Keyword(s):  
Density Functional Theory ◽  
Co Oxidation ◽  
Density Functional ◽  
Atomic Oxygen ◽  
Density Functional Theory Study ◽  
Functional Theory

Pd1/BN as a promising single atom catalyst of CO oxidation: a dispersion-corrected density functional theory study

RSC Advances ◽  
2015 ◽  
Vol 5 (103) ◽  
pp. 84381-84388 ◽  
Author(s):  
Zhansheng Lu ◽  
Peng Lv ◽  
Jie Xue ◽  
Huanhuan Wang ◽  
Yizhe Wang ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Co Oxidation ◽  
Metal Atom ◽  
Density Functional ◽  
Single Atom ◽  
Two Dimensional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Metal Atoms ◽  
Two Dimensional Materials

Single metal atom catalysts exhibit extraordinary activity in a large number of reactions, and some two-dimensional materials (such as graphene and h-BN) are found to be prominent supports to stabilize single metal atoms.

scholarly journals Two Gold Surfaces and a Cluster with Remarkable Reactivity for CO Oxidation, a Density Functional Theory Study

2011 ◽  
Vol 54 (5-7) ◽  
pp. 415-423 ◽  
Author(s):  
A. Hussain ◽  
A. J. Muller ◽  
B. E. Nieuwenhuys ◽  
J. M. Gracia ◽  
J. W. Niemantsverdriet
Keyword(s):  
Density Functional Theory ◽  
Co Oxidation ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Gold Surfaces ◽  
Functional Theory
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