Two-dimensional PtSe2/hBN vdW heterojunction as photoelectrocatalyst for the solar-driven oxygen evolution reaction: A first principles study

2021 ◽  
Vol 570 ◽  
pp. 151207
Author(s):  
Xin Huang ◽  
Liang Xu ◽  
Haotian Li ◽  
Shuaihao Tang ◽  
Zongle Ma ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
First Principles ◽  
Oxygen Evolution Reaction ◽  
Two Dimensional ◽  
First Principles Study

First-Principles Investigation of Two-Dimensional Covalent Organic Frameworks Electrocatalysts for Oxygen Evolution/Reduction and Hydrogen Evolution Reactions

2021 ◽  
Author(s):  
Jing Ji ◽  
Cunjin Zhang ◽  
Shuaibo Qin ◽  
Peng Jin
Keyword(s):  
Renewable Energy ◽  
Hydrogen Evolution ◽  
Oxygen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Oxygen Evolution Reaction ◽  
Reduction Reaction ◽  
Two Dimensional ◽  
Energy Applications ◽  
Hydrogen Evolution Reactions

The oxygen evolution reaction (OER), oxygen reduction reaction (ORR), and hydrogen evolution reaction (HER) all have attracted much attention due to their utmost importance for clean and renewable energy applications....

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...

Iron incorporation affecting the structure and boosting catalytic activity of β-Co(OH)2: exploring the reaction mechanism of ultrathin two-dimensional carbon-free Fe3O4-decorated β-Co(OH)2nanosheets as efficient oxygen evolution electrocatalysts

2017 ◽  
Vol 5 (15) ◽  
pp. 6849-6859 ◽  
Author(s):  
Fengzhan Sun ◽  
Linbo Li ◽  
Guo Wang ◽  
Yuqing Lin
Keyword(s):  
Catalytic Activity ◽  
Reaction Mechanism ◽  
Oxygen Evolution ◽  
First Principles ◽  
Oxygen Evolution Reaction ◽  
First Principles Calculation ◽  
Two Dimensional ◽  
Iron Incorporation

Ultrathin two-dimensional Fe3O4-decorated β-Co(OH)2nanosheets are synthesized for oxygen evolution reaction and reaction mechanism is explored by first principles calculation.

First-principles study of crystalline CoWO4 as oxygen evolution reaction catalyst

RSC Advances ◽  
2014 ◽  
Vol 4 (47) ◽  
pp. 24692 ◽  
Author(s):  
Chen Ling ◽  
Li Qin Zhou ◽  
Hongfei Jia
Keyword(s):  
Oxygen Evolution ◽  
First Principles ◽  
Oxygen Evolution Reaction ◽  
First Principles Study

First-Principles Study on Chromium-Substituted α-Cobalt Oxyhydroxides for Efficient Oxygen Evolution Reaction

2020 ◽  
Vol 3 (7) ◽  
pp. 6486-6491 ◽  
Author(s):  
Umair Shamraiz ◽  
Amin Badshah ◽  
Bareera Raza ◽  
Ivan R. Green
Keyword(s):  
Oxygen Evolution ◽  
First Principles ◽  
Oxygen Evolution Reaction ◽  
First Principles Study

The doping effect on the catalytic activity of graphene for oxygen evolution reaction in a lithium–air battery: a first-principles study

2015 ◽  
Vol 17 (22) ◽  
pp. 14605-14612 ◽  
Author(s):  
Xiaodong Ren ◽  
Beizhou Wang ◽  
Jinzhen Zhu ◽  
Jianjun Liu ◽  
Wenqing Zhang ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Oxygen Evolution ◽  
First Principles ◽  
Oxygen Evolution Reaction ◽  
Catalytic Effect ◽  
Doping Effect ◽  
First Principles Study ◽  
Air Battery ◽  
B Doping

B,P-codoped graphene has synergetic catalytic effect on O2 evolution of B-doping and Li+ desorption of P-doping.

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