scholarly journals Theoretical Study of Possible Active Site Structures in Cobalt- Polypyrrole Catalysts for Oxygen Reduction Reaction

2011 ◽  
Vol 115 (33) ◽  
pp. 16672-16680 ◽  
Author(s):  
Zheng Shi ◽  
Hansan Liu ◽  
Kunchan Lee ◽  
Eben Dy ◽  
Jerzy Chlistunoff ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Active Site ◽  
Theoretical Study ◽  
Reduction Reaction

A theoretical study of atomically dispersed MN4/C (M = Fe or Mn) as a high-activity catalyst for the oxygen reduction reaction

2020 ◽  
Vol 22 (48) ◽  
pp. 28297-28303
Author(s):  
Hao Xu ◽  
Dan Wang ◽  
Peixia Yang ◽  
Anmin Liu ◽  
Ruopeng Li ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
High Activity ◽  
Active Site ◽  
Theoretical Study ◽  
Reduction Reaction ◽  
Reaction Process ◽  
Activity Catalyst

MN4 is the ORR active site of MN4/C, which can promote the reaction process to proceed through a four-electron pathway.

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.

Investigation of the Active Site for the Oxygen Reduction Reaction on the Oxide Surface Using by In-Situ XAFS Method

2018 ◽  
Vol 85 (13) ◽  
pp. 865-872 ◽  
Author(s):  
Takahiro Saida ◽  
Shoko Hirano ◽  
Etsuko Niwa ◽  
Fumiaki Sato ◽  
Takahiro Maruyama
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Active Site ◽  
Reduction Reaction ◽  
Oxide Surface ◽  
In Situ Xafs

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.

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