First‐Principles Study of 3d Transition Metal Atoms Doped Ni 13 Cluster as Efficient Electrocatalyst for Nitrogen Reduction Reaction

2021 ◽  
pp. 2100353
Author(s):  
Wei Song ◽  
Menghui Xi ◽  
Yongliang Guo ◽  
Chaozheng He ◽  
Ling Fu
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Reduction Reaction ◽  
Nitrogen Reduction ◽  
First Principles Study ◽  
Metal Atoms ◽  
Transition Metal Atoms

First-principles screening of single transition metal atoms anchored on two-dimensional C9N4 for the nitrogen reduction reaction

2021 ◽  
Vol 23 (14) ◽  
pp. 8784-8791
Author(s):  
Qingling Meng ◽  
Ling Zhang ◽  
Jinge Wu ◽  
Shuwei Zhai ◽  
Xiamin Hao ◽  
...  
Keyword(s):  
Nitrogen Fixation ◽  
Transition Metal ◽  
First Principles ◽  
Reduction Reaction ◽  
Single Atom ◽  
Two Dimensional ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Catalytically Active ◽  
Single Transition

Theoretical screening of transition metal atoms anchored on monolayer C9N4 as highly stable, catalytically active and selective single-atom catalysts for nitrogen fixation.

A first-principles study on zigzag phosphorene nanoribbons terminated by transition metal atoms

2020 ◽  
Author(s):  
Shuai Yang ◽  
Zhiyong Wang ◽  
Xueqiong Dai ◽  
Jianrong Xiao ◽  
Mengqiu Long
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
First Principles Study ◽  
Metal Atoms ◽  
Transition Metal Atoms

Double transition metal atoms anchored on Graphdiyne as promising catalyst for electrochemical nitrogen reduction reaction

2021 ◽  
Vol 77 ◽  
pp. 244-251
Author(s):  
Lakshitha Jasin Arachchige ◽  
Yongjun Xu ◽  
Zhongxu Dai ◽  
Xiao Li Zhang ◽  
Feng Wang ◽  
...  
Keyword(s):  
Transition Metal ◽  
Reduction Reaction ◽  
Nitrogen Reduction ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Double Transition

scholarly journals Theoretical Screening of Single Transition Metal Atoms Embedded in MXene Defects as Superior Electrocatalyst of Nitrogen Reduction Reaction

Small Methods ◽  
2019 ◽  
Vol 3 (11) ◽  
pp. 1900337 ◽  
Author(s):  
Lei Li ◽  
Xingyong Wang ◽  
Haoran Guo ◽  
Ge Yao ◽  
Haibo Yu ◽  
...  
Keyword(s):  
Transition Metal ◽  
Reduction Reaction ◽  
Nitrogen Reduction ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Single Transition

Adsorption of 3d transition metal atoms on graphene-like gallium nitride monolayer: A first-principles study

2018 ◽  
Vol 115 ◽  
pp. 108-115 ◽  
Author(s):  
Guo-Xiang Chen ◽  
Han-Fei Li ◽  
Xu Yang ◽  
Jun-Qing Wen ◽  
Qing Pang ◽  
...  
Keyword(s):  
Gallium Nitride ◽  
Transition Metal ◽  
First Principles ◽  
First Principles Study ◽  
Metal Atoms ◽  
Transition Metal Atoms
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