Computational Design of Transition Metal Single-Atom Electrocatalysts on PtS2 for Efficient Nitrogen Reduction

2020 ◽  
Vol 12 (18) ◽  
pp. 20448-20455 ◽  
Author(s):  
Lejuan Cai ◽  
Ning Zhang ◽  
Bocheng Qiu ◽  
Yang Chai
Keyword(s):  
Transition Metal ◽  
Computational Design ◽  
Single Atom ◽  
Nitrogen Reduction

scholarly journals Transition metal-tetracyanoquinodimethane monolayers as single-atom catalysts for the electrocatalytic nitrogen reduction reaction

2020 ◽  
Vol 1 (5) ◽  
pp. 1285-1292 ◽  
Author(s):  
Yiran Ying ◽  
Ke Fan ◽  
Xin Luo ◽  
Jinli Qiao ◽  
Haitao Huang
Keyword(s):  
Transition Metal ◽  
Reduction Reaction ◽  
Single Atom ◽  
Nitrogen Reduction

Single Sc/Ti atoms supported on TCNQ monolayers have been explored as outstanding electrocatalysts for nitrogen reduction.

Building Up a Picture of the Electrocatalytic Nitrogen Reduction Activity of Transition Metal Single-Atom Catalysts

2019 ◽  
Vol 141 (24) ◽  
pp. 9664-9672 ◽  
Author(s):  
Xin Liu ◽  
Yan Jiao ◽  
Yao Zheng ◽  
Mietek Jaroniec ◽  
Shi-Zhang Qiao
Keyword(s):  
Transition Metal ◽  
Single Atom ◽  
Nitrogen Reduction ◽  
Reduction Activity

Active site engineering of atomically dispersed transition metal-heteroatom-carbon catalysts for oxygen reduction

2021 ◽  
Author(s):  
Jiawei Zhu ◽  
Shichun Mu
Keyword(s):  
Transition Metal ◽  
Oxygen Reduction ◽  
Active Site ◽  
Catalytic Reactions ◽  
Single Atom ◽  
Carbon Catalysts

Owing to the advantage of atomic utilization, the single-atom catalyst has attracted much attention and been employed in multifarious catalytic reactions. Their definite site configuration is favorable for exploring the...

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.

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