A density functional theory study of the alkali metal atom–carbon monoxide interactions: Singularity of the Li atom

1995 ◽  
Vol 102 (14) ◽  
pp. 5719-5724 ◽  
Author(s):  
P. Pullumbi ◽  
Y. Bouteiller ◽  
J. P. Perchard
Keyword(s):  
Density Functional Theory ◽  
Carbon Monoxide ◽  
Alkali Metal ◽  
Metal Atom ◽  
Density Functional ◽  
Alkali Metal Atom ◽  
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.

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