Water dissociation on K2O-pre-adsorbed transition metals: a systematic theoretical study

2018 ◽  
Vol 20 (30) ◽  
pp. 19850-19859 ◽  
Author(s):  
Yan-Xin Wang ◽  
Gui-Chang Wang
Keyword(s):  
Transition Metals ◽  
Theoretical Study ◽  
Water Dissociation ◽  
Promotion Effect ◽  
Binding Strength

The K2O-induced promotion effect depends on the binding strength of K2O in which both O and K act as the promoter.

The First Row Transition Metals on Stabilization of Biliverdin Complexes: Theoretical Study

2021 ◽  
Vol 66 (4) ◽  
pp. 516-524
Author(s):  
A. Taghizadeh ◽  
Parisa Rajabali Jamaat ◽  
Maryam Daghighi Asli
Keyword(s):  
Transition Metals ◽  
Theoretical Study

The Promotion Effect of Transition Metals on Water‐Tolerant Performance of Cu/SiO 2 Catalysts in Hydrogenation Reaction

2019 ◽  
Vol 4 (48) ◽  
pp. 14063-14068 ◽  
Author(s):  
Zheng Chen ◽  
Guisheng Zhu ◽  
Yi Wu ◽  
Jiaqiang Sun ◽  
Mohamed Abbas ◽  
...  
Keyword(s):  
Transition Metals ◽  
Hydrogenation Reaction ◽  
Promotion Effect

TM atoms on B/N doped defective graphene as a catalyst for oxygen reduction reaction: a theoretical study

RSC Advances ◽  
2015 ◽  
Vol 5 (101) ◽  
pp. 82804-82812 ◽  
Author(s):  
Xiaoming Zhang ◽  
Shansheng Yu ◽  
Hong Chen ◽  
Weitao Zheng
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Theoretical Study ◽  
Reduction Reaction ◽  
Binding Strength ◽  
Metal Atoms ◽  
N Doping ◽  
Defective Graphene

N-doping can effectively improve the binding strength of metal atoms with divacancies and some TM–VN2 serve as promising ORR catalysts.

Theoretical study of the interaction of ionized transition metals (Cr,Mn,Fe,Co,Ni,Cu) with argon

1990 ◽  
Vol 41 (15) ◽  
pp. 10447-10452 ◽  
Author(s):  
B. L. Hammond ◽  
W. A. Lester ◽  
M. Braga ◽  
C. A. Taft
Keyword(s):  
Transition Metals ◽  
Theoretical Study
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