Single Transition Metal Atom Bound to the Unconventional Phase of the MoS2 Monolayer for Catalytic Oxygen Reduction Reaction: A First-Principles Study

Faling Ling; Weidi Xia; Li Li; Xianju Zhou; Xu Luo; Qingzhou Bu; Jiacai Huang; Xiaoqing Liu; Wei Kang; Miao Zhou

doi:10.1021/acsami.0c21597

Single Transition Metal Atom Bound to the Unconventional Phase of the MoS2 Monolayer for Catalytic Oxygen Reduction Reaction: A First-Principles Study

ACS Applied Materials & Interfaces ◽

10.1021/acsami.0c21597 ◽

2021 ◽

Vol 13 (15) ◽

pp. 17412-17419

Author(s):

Faling Ling ◽

Weidi Xia ◽

Li Li ◽

Xianju Zhou ◽

Xu Luo ◽

...

Keyword(s):

Transition Metal ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Metal Atom ◽

First Principles ◽

Reduction Reaction ◽

Transition Metal Atom ◽

First Principles Study ◽

Mos2 Monolayer ◽

Single Transition

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DFT-based study of single transition metal atom doped g-C3N4 as alternative oxygen reduction reaction catalysts

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2019.04.057 ◽

2019 ◽

Vol 44 (29) ◽

pp. 15409-15416 ◽

Cited By ~ 22

Author(s):

Xin Chen ◽

Rui Hu

Keyword(s):

Transition Metal ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Metal Atom ◽

Reduction Reaction ◽

Transition Metal Atom ◽

Single Transition

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Transition metal atom doped C2N as catalyst for the oxygen reduction reaction: A density functional theory study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2020.07.103 ◽

2020 ◽

Vol 45 (51) ◽

pp. 27202-27209

Author(s):

Shangyu Lin ◽

Qingan Qiao ◽

Xin Chen ◽

Rui Hu ◽

Nanjun Lai

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Metal Atom ◽

Density Functional ◽

Reduction Reaction ◽

Transition Metal Atom ◽

Density Functional Theory Study ◽

Functional Theory

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First principles study of oxygen reduction reaction mechanisms on N-doped graphene with a transition metal support

Electrochimica Acta ◽

10.1016/j.electacta.2014.03.076 ◽

2014 ◽

Vol 140 ◽

pp. 225-231 ◽

Cited By ~ 36

Author(s):

Seung Hyo Noh ◽

Do Hyun Kwak ◽

Min Ho Seo ◽

Takeo Ohsaka ◽

Byungchan Han

Keyword(s):

Transition Metal ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Reaction Mechanisms ◽

Reduction Reaction ◽

First Principles Study ◽

Metal Support ◽

Doped Graphene

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A first principles study of oxygen reduction reaction on a Pt(111) surface modified by a subsurface transition metal M (M = Ni, Co, or Fe)

Physical Chemistry Chemical Physics ◽

10.1039/c1cp21687b ◽

2011 ◽

Vol 13 (45) ◽

pp. 20178 ◽

Cited By ~ 168

Author(s):

Zhiyao Duan ◽

Guofeng Wang

Keyword(s):

Transition Metal ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Reduction Reaction ◽

First Principles Study ◽

Surface Modified

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Single Transition Metal Atom Modified MoSe2 as a Promising Electrocatalyst for Nitrogen Fixation: A first-principles study

Chemical Physics Letters ◽

10.1016/j.cplett.2021.138939 ◽

2021 ◽

pp. 138939

Author(s):

Can Chen ◽

Juexian Cao ◽

Wenjin Yin ◽

Qi Zhang ◽

Yongsheng Yao ◽

...

Keyword(s):

Nitrogen Fixation ◽

Transition Metal ◽

Metal Atom ◽

First Principles ◽

Transition Metal Atom ◽

First Principles Study ◽

Single Transition

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First-principles study of interfacial effects toward oxygen reduction reaction of palladium/La1-xSrxCo1-yFeyO3-δ cathodes in solid oxide fuel cells

Applied Surface Science ◽

10.1016/j.apsusc.2021.150218 ◽

2021 ◽

pp. 150218

Author(s):

Mingrui Wei ◽

Haizhao Li ◽

Xiyong Chen ◽

Guanlun Guo ◽

Yihui Liu ◽

...

Keyword(s):

Fuel Cells ◽

Solid Oxide Fuel Cells ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Reduction Reaction ◽

Solid Oxide ◽

Oxide Fuel ◽

Interfacial Effects ◽

First Principles Study

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Structural, electronic, and magnetic behaviors of 5d transition metal atom substituted divacancy graphene: A first-principles study

Chinese Physics B ◽

10.1088/1674-1056/26/5/056301 ◽

2017 ◽

Vol 26 (5) ◽

pp. 056301 ◽

Cited By ~ 3

Author(s):

Muhammad Rafique ◽

Yong Shuai ◽

He-ping Tan ◽

Muhammad Hassan

Keyword(s):

Transition Metal ◽

Metal Atom ◽

First Principles ◽

Transition Metal Atom ◽

First Principles Study

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First principles study on the oxygen reduction reaction of Ir@Pt Core-Shell structure

Chemical Physics ◽

10.1016/j.chemphys.2021.111356 ◽

2021 ◽

pp. 111356

Author(s):

Yanli Lu ◽

Haipeng Zhang ◽

Yifan Wang ◽

Zheng Chen

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Shell Structure ◽

Reduction Reaction ◽

Core Shell ◽

First Principles Study ◽

Core Shell Structure

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Oxygen reduction on zirconium-stabilized-PdO surfaces: a first-principles study

RSC Advances ◽

10.1039/c7ra06939a ◽

2017 ◽

Vol 7 (65) ◽

pp. 41057-41062 ◽

Cited By ~ 1

Author(s):

Xiaofeng Yang ◽

Zongbao Li ◽

Xinyu Li ◽

Ao Wang ◽

Lichao Jia ◽

...

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Relative Stability ◽

Reduction Reaction ◽

First Principles Calculations ◽

First Principles Study

The oxygen reduction reaction properties on PdO and Zr-doped PdO surfaces, and the relative stability of the concerned surfaces, have been studied by first-principles calculations.

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

Computational Materials Science ◽

10.1016/j.commatsci.2018.03.067 ◽

2018 ◽

Vol 150 ◽

pp. 33-41 ◽

Cited By ~ 12

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

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