Nitrogen reduction reaction on small iron clusters supported by N-doped graphene: A theoretical study of the atomically precise active-site mechanism

Nano Research ◽  
2020 ◽  
Vol 13 (8) ◽  
pp. 2280-2288
Author(s):  
Chaonan Cui ◽  
Hongchao Zhang ◽  
Zhixun Luo
Keyword(s):  
Active Site ◽  
Theoretical Study ◽  
Reduction Reaction ◽  
Iron Clusters ◽  
Nitrogen Reduction ◽  
Doped Graphene

scholarly journals A theoretical study on molybdenum and sulfur co-doped graphene for electrocatalytic nitrogen reduction

2022 ◽  
Vol 517 ◽  
pp. 112048
Author(s):  
Yanyang Qin ◽  
Shishi Zhang ◽  
Guoxin Gao ◽  
Shujiang Ding ◽  
Yaqiong Su
Keyword(s):  
Theoretical Study ◽  
Nitrogen Reduction ◽  
Doped Graphene ◽  
Co Doped

scholarly journals Strain-Controlled Single Cr Embedded Nitrogen-Doped Graphene Achieve Efficient Nitrogen Reduction

2021 ◽  
Author(s):  
Chao Lin ◽  
Xiaopeng Liu ◽  
Jiale Qu ◽  
Xiang Feng ◽  
Zhi Wei Seh ◽  
...  
Keyword(s):  
Electronic State ◽  
Reduction Reaction ◽  
State Regulation ◽  
Single Atom ◽  
Nitrogen Reduction ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

Single atom catalysts (SACs) have received much attention in the nitrogen reduction reaction (NRR) field due to their high atomic utilization and controllable electronic state regulation. It is attractive to...

Atom-Pair Catalysts Supported by N-Doped Graphene for the Nitrogen Reduction Reaction: d-Band Center-Based Descriptor

2020 ◽  
Vol 11 (15) ◽  
pp. 6320-6329 ◽  
Author(s):  
Ting Deng ◽  
Chao Cen ◽  
Hujun Shen ◽  
Shuyi Wang ◽  
Jingdong Guo ◽  
...  
Keyword(s):  
Reduction Reaction ◽  
Atom Pair ◽  
Nitrogen Reduction ◽  
Band Center ◽  
Doped Graphene

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.

Sign in / Sign up

Export Citation Format

Share Document