Electrochemical catalytic mechanism of single transition metal atom embedded BC3 monolayer for oxygen reduction and evolution reactions

Chemical Engineering Journal ◽

10.1016/j.cej.2021.130631 ◽

2021 ◽

Vol 425 ◽

pp. 130631

Author(s):

Yanning Wang ◽

Na Zhou ◽

Yinshi Li

Keyword(s):

Transition Metal ◽

Oxygen Reduction ◽

Catalytic Mechanism ◽

Transition Metal Atom ◽

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 ◽

Author(s):

Xin Chen ◽

Rui Hu

Keyword(s):

Transition Metal ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Reduction Reaction ◽

Transition Metal Atom ◽

Single Transition

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Single Transition Metal Atom-Doped Graphene Supported on a Nickel Substrate: Enhanced Oxygen Reduction Reactions Modulated by Electron Coupling

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b12193 ◽

2019 ◽

Vol 123 (6) ◽

pp. 3703-3710 ◽

Author(s):

Xin Mao ◽

Gurpreet Kour ◽

Cheng Yan ◽

Zhonghua Zhu ◽

Aijun Du

Keyword(s):

Transition Metal ◽

Oxygen Reduction ◽

Transition Metal Atom ◽

Nickel Substrate ◽

Reduction Reactions ◽

Oxygen Reduction Reactions ◽

Electron Coupling ◽

Doped Graphene ◽

Single Transition

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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 ◽

First Principles ◽

Reduction Reaction ◽

Transition Metal Atom ◽

First Principles Study ◽

Mos2 Monolayer ◽

Single Transition

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MXenes modified by single transition metal atom for hydrogen evolution reaction catalysts

Applied Surface Science ◽

10.1016/j.apsusc.2021.150151 ◽

2021 ◽

pp. 150151

Author(s):

Zhe Meng ◽

Bikun Zhang ◽

Qiong Peng ◽

Yadong Yu ◽

Jian Zhou ◽

...

Keyword(s):

Transition Metal ◽

Hydrogen Evolution ◽

Hydrogen Evolution Reaction ◽

Transition Metal Atom ◽

Single Transition

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Ab-initio molecular dynamical study of a single transition metal atom on fullerene C60: the case of Ta

The European Physical Journal D ◽

10.1140/epjd/e2008-00262-4 ◽

2009 ◽

Vol 51 (3) ◽

pp. 369-374 ◽

Author(s):

L. M. Ramaniah ◽

M. Boero

Keyword(s):

Transition Metal ◽

Ab Initio ◽

Fullerene C60 ◽

Transition Metal Atom ◽

Dynamical Study ◽

Single Transition

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Spin-dependent structural, electronic and transport properties of armchair graphyne nanoribbons doped with single transition-metal atom, using DFT calculations

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2017.07.039 ◽

2017 ◽

Vol 443 ◽

pp. 96-103 ◽

Author(s):

S. Golafrooz Shahri ◽

M.R. Roknabadi ◽

R. Radfar

Keyword(s):

Transition Metal ◽

Dft Calculations ◽

Transport Properties ◽

Transition Metal Atom ◽

Single Transition

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Magnetic Properties of Single Transition-Metal Atom Absorbed Graphdiyne and Graphyne Sheet from DFT+U Calculations

The Journal of Physical Chemistry C ◽

10.1021/jp307408u ◽

2012 ◽

Vol 116 (50) ◽

pp. 26313-26321 ◽

Author(s):

Junjie He ◽

Shuang Ying Ma ◽

Pan Zhou ◽

C. X. Zhang ◽

Chaoyu He ◽

...

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

Transition Metal Atom ◽

Single Transition

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Catalytic Activity of Single Transition-Metal Atom Doped in Cu(111) Surface for Heterogeneous Hydrogenation

The Journal of Physical Chemistry C ◽

10.1021/jp403902g ◽

2013 ◽

Vol 117 (28) ◽

pp. 14618-14624 ◽

Author(s):

Qiang Fu ◽

Yi Luo

Keyword(s):

Catalytic Activity ◽

Transition Metal ◽

Transition Metal Atom ◽

Single Transition ◽

Heterogeneous Hydrogenation

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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 ◽

Density Functional ◽

Reduction Reaction ◽

Transition Metal Atom ◽

Density Functional Theory Study ◽

Functional Theory

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The Influence of a Single Transition Metal Atom on the Reactivity of Main Group Metal Clusters in the Gas Phase

Zeitschrift für anorganische und allgemeine Chemie ◽

10.1002/zaac.201400280 ◽

2014 ◽

Vol 640 (14) ◽

pp. 2701-2707 ◽

Author(s):

Marco Neumaier ◽

Christian Schenk ◽

Hansgeorg Schnöckel ◽

Andreas Schnepf

Keyword(s):

Transition Metal ◽

Gas Phase ◽

Metal Clusters ◽

Transition Metal Atom ◽

Group Metal ◽

Main Group Metal ◽

Single Transition

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