Electrocatalytic Performance of Mn-adsorbed g-C3N4: A First-Principles Study

2021 ◽  
Author(s):  
Liu Guo ◽  
Rui Li ◽  
Jiawei Jiang ◽  
Ji-Jun Zou ◽  
Wenbo Mi
Keyword(s):  
Transition Metal ◽  
Oxygen Evolution ◽  
Active Center ◽  
Metal Atom ◽  
First Principles ◽  
Oxygen Evolution Reaction ◽  
Single Atom ◽  
Transition Metal Atom ◽  
First Principles Study ◽  
Magnetic Elements

Single-atom catalysts with magnetic elements as the active center have been widely exploited for efficient oxygen evolution reaction (OER) electrocatalyst. Here, different contents of transition metal atom Mn adsorbed on...

Adsorption of 3d transition-metal atom on InSe monolayer: A first-principles study

2018 ◽  
Vol 150 ◽  
pp. 33-41 ◽  
Author(s):  
Weiwei Ju ◽  
Tongwei Li ◽  
Qingxiao Zhou ◽  
Haisheng Li ◽  
Xiaohong Li ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Atom ◽  
First Principles ◽  
Transition Metal Atom ◽  
First Principles Study

Transition metal anchored C2N monolayers as efficient bifunctional electrocatalysts for hydrogen and oxygen evolution reactions

2018 ◽  
Vol 6 (24) ◽  
pp. 11446-11452 ◽  
Author(s):  
Xu Zhang ◽  
An Chen ◽  
Zihe Zhang ◽  
Menggai Jiao ◽  
Zhen Zhou
Keyword(s):  
Transition Metal ◽  
Oxygen Evolution ◽  
Metal Atom ◽  
First Principles ◽  
Transition Metal Atom ◽  
Bifunctional Electrocatalysts

By means of first-principles computations, we screened a series of transition metal atom anchored C2N monolayers (TMx@C2N) as bifunctional electrocatalysts for both HER and OER.

Magnetic modification of transition-metal-atom–adsorbed blue phosphorus monolayer: A first-principles study

2020 ◽  
Vol 129 (4) ◽  
pp. 47003
Author(s):  
Shuai Zhang ◽  
Tianxing Wang ◽  
Xianqi Dai ◽  
Chensi Li ◽  
Congxin Xia ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Atom ◽  
First Principles ◽  
Transition Metal Atom ◽  
First Principles Study ◽  
Magnetic Modification
Sign in / Sign up

Export Citation Format

Share Document