Theoretical Study on a Potential Oxygen Reduction Reaction Electrocatalyst: Single Fe Atoms Supported on Graphite Carbonitride

Langmuir ◽  
2020 ◽  
Author(s):  
Siwei Yang ◽  
Lingshan Lyu ◽  
Chaoyu Zhao ◽  
Huiling Liu ◽  
Xuri Huang
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Theoretical Study ◽  
Reduction Reaction ◽  
Potential Oxygen

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 Solvent Effects on the Platinum-Catalyzed Oxygen Reduction Reaction

2010 ◽  
Vol 1 (5) ◽  
pp. 856-861 ◽  
Author(s):  
Yao Sha ◽  
Ted H. Yu ◽  
Yi Liu ◽  
Boris V. Merinov ◽  
William A. Goddard
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Solvent Effects ◽  
Theoretical Study ◽  
Reduction Reaction

Combined Experimental and Theoretical Study of Cobalt Corroles as Catalysts for Oxygen Reduction Reaction

2019 ◽  
Vol 123 (50) ◽  
pp. 30129-30136 ◽  
Author(s):  
Jennifer S. Shpilman ◽  
Ariel Friedman ◽  
Noam Zion ◽  
Naomi Levy ◽  
Dan T. Major ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Theoretical Study ◽  
Reduction Reaction

Theoretical study on the origin of activity for the oxygen reduction reaction of metal-doped two-dimensional boron nitride materials

2018 ◽  
Vol 20 (15) ◽  
pp. 10240-10246 ◽  
Author(s):  
Chaofang Deng ◽  
Rongxing He ◽  
Dimao Wen ◽  
Wei Shen ◽  
Ming Li
Keyword(s):  
Boron Nitride ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Theoretical Study ◽  
Reduction Reaction ◽  
Two Dimensional ◽  
Metal Doped

Two-dimensional boron nitride (2D-BN) materials doped with metallic atoms are suitable candidates for the oxygen reduction reaction (ORR) to replace Pt-based catalysts.

The Influence of Pt Layers in Ag@PtnL(111) (n = 1 and 2) on Oxygen Reduction Reaction: A Theoretical Study

2016 ◽  
Vol 163 (8) ◽  
pp. F945-F951 ◽  
Author(s):  
Kai Li ◽  
Feng He ◽  
Guangyou Xie ◽  
Ying Wang ◽  
Menggai Jiao ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Theoretical Study ◽  
Reduction Reaction
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