Role of size, composition and substrate in controlling the reactivity of α(0001)-Al 2 O 3 supported Ag n Au m ( n+m = 2 − 4) alloy clusters for CO-oxidation: A comprehensive density functional study

2018 ◽  
Vol 433 ◽  
pp. 756-764 ◽  
Author(s):  
Akansha Singh ◽  
Chiranjib Majumder ◽  
Prasenjit Sen
Keyword(s):  
Co Oxidation ◽  
Density Functional ◽  
Size Composition ◽  
Functional Study ◽  
Density Functional Study ◽  
Alloy Clusters

scholarly journals Density functional study on the CO oxidation reaction mechanism on MnN2-doped graphene

RSC Advances ◽  
2020 ◽  
Vol 10 (46) ◽  
pp. 27856-27863
Author(s):  
Mingming Luo ◽  
Zhao Liang ◽  
Chao Liu ◽  
Xiaopeng Qi ◽  
Mingwei Chen ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Co Oxidation ◽  
Oxidation Reaction ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Co Oxidation Reaction ◽  
Doped Graphene ◽  
First Time

The various COOR mechanisms on MnN2-doped graphene (MnN2C2: MnN2C2-hex, MnN2C2-opp, MnN2C2-pen) were investigated for the first time.

Role of Solvation in the Reduction of the Uranyl Dication by Water:  A Density Functional Study

2004 ◽  
Vol 43 (13) ◽  
pp. 4080-4090 ◽  
Author(s):  
Lyudmila V. Moskaleva ◽  
Sven Krüger ◽  
Andreas Spörl ◽  
Notker Rösch
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

scholarly journals Cu, Sm co-doping effect on the CO oxidation activity of CeO2. A combined experimental and density functional study

2020 ◽  
Vol 521 ◽  
pp. 146305 ◽  
Author(s):  
Ayesha A. AlKhoori ◽  
Kyriaki Polychronopoulou ◽  
Abderrezak Belabbes ◽  
Maguy Abi Jaoude ◽  
Lourdes F. Vega ◽  
...  
Keyword(s):  
Co Oxidation ◽  
Density Functional ◽  
Doping Effect ◽  
Functional Study ◽  
Oxidation Activity ◽  
Density Functional Study ◽  
Co Doping
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