A Density Functional Theory Study on the Ligand Substitution Mechanism of a Square Planar Pd Complex

2016 ◽  
Vol 37 (7) ◽  
pp. 1057-1063 ◽  
Author(s):  
Ji Eun Park ◽  
Youn Kyung Kang
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Ligand Substitution ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Square Planar ◽  
Substitution Mechanism

MoS2 supported single platinum atoms and their superior catalytic activity for CO oxidation: a density functional theory study

2015 ◽  
Vol 3 (46) ◽  
pp. 23113-23119 ◽  
Author(s):  
Chunmiao Du ◽  
Haiping Lin ◽  
Bin Lin ◽  
Zeyao Ma ◽  
Tingjun Hou ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Catalytic Activity ◽  
Co Oxidation ◽  
Density Functional ◽  
Platinum Atom ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Square Planar

The formation of a square-planar 16-electron complex during CO oxidation on a MoS2 supported single platinum atom catalyst.

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