First-Principles Study on Nitrobenzene-Doped Graphene as a Metal-Free Electrocatalyst for Oxygen Reduction Reaction

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b02097 ◽

2016 ◽

Vol 120 (16) ◽

pp. 8804-8812 ◽

Author(s):

Menggai Jiao ◽

Wei Song ◽

Kai Li ◽

Ying Wang ◽

Zhijian Wu

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Reduction Reaction ◽

First Principles Study ◽

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A first principles study on aluminium-sulfur co-doped graphene as an electro-catalyst for oxygen reduction reaction in a PEM fuel cell

10.1063/5.0066645 ◽

2021 ◽

Author(s):

Christabel Ngetich ◽

Evan Wanjiru ◽

Kabini Karanja ◽

Patrick Kareru ◽

James Mutua

Keyword(s):

Fuel Cell ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Pem Fuel Cell ◽

Reduction Reaction ◽

First Principles Study ◽

Doped Graphene ◽

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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 ◽

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 ◽

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Doped fullerene as a metal-free electrocatalyst for oxygen reduction reaction: A first-principles study

Carbon ◽

10.1016/j.carbon.2016.12.028 ◽

2017 ◽

Vol 114 ◽

pp. 393-401 ◽

Author(s):

Ying Wang ◽

Menggai Jiao ◽

Wei Song ◽

Zhijian Wu

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Reduction Reaction ◽

First Principles Study

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The mechanisms of oxygen reduction reaction on phosphorus doped graphene: A first-principles study

Journal of Power Sources ◽

10.1016/j.jpowsour.2014.11.105 ◽

2015 ◽

Vol 276 ◽

pp. 222-229 ◽

Author(s):

Xilin Zhang ◽

Zhansheng Lu ◽

Zhaoming Fu ◽

Yanan Tang ◽

Dongwei Ma ◽

...

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Reduction Reaction ◽

First Principles Study ◽

Doped Graphene ◽

Phosphorus Doped

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First-principles study of the oxygen reduction reaction on the boron-doped C9N4 metal-free catalyst

Applied Surface Science ◽

10.1016/j.apsusc.2020.146828 ◽

2020 ◽

Vol 527 ◽

pp. 146828 ◽

Author(s):

Bingling He ◽

Jiansheng Shen ◽

Zhansheng Lu ◽

Dongwei Ma

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Reduction Reaction ◽

First Principles Study ◽

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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):

Solid Oxide Fuel Cells ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Reduction Reaction ◽

Solid Oxide ◽

Interfacial Effects ◽

First Principles Study

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In situ synthesis of sulfur-doped graphene quantum dots decorated carbon nanoparticles hybrid as metal-free electrocatalyst for oxygen reduction reaction

Journal of Materials Science Materials in Electronics ◽

10.1007/s10854-018-9875-5 ◽

2018 ◽

Vol 29 (20) ◽

pp. 17695-17705 ◽

Author(s):

Yue Yao ◽

Yongsheng Guo ◽

Wei Du ◽

Xiangying Tong ◽

Xin Zhang

Keyword(s):

Quantum Dots ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Carbon Nanoparticles ◽

Graphene Quantum Dots ◽

Reduction Reaction ◽

In Situ Synthesis ◽

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Nanodiamond/nitrogen-doped graphene (core/shell) as an effective and stable metal-free electrocatalyst for oxygen reduction reaction

Electrochimica Acta ◽

10.1016/j.electacta.2015.06.057 ◽

2015 ◽

Vol 174 ◽

pp. 1017-1022 ◽

Author(s):

Liang Dong ◽

Jianbing Zang ◽

Jing Su ◽

Yingdan Jia ◽

Yanhui Wang ◽

...

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Reduction Reaction ◽

Nitrogen Doped ◽

Nitrogen Doped Graphene ◽

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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 ◽

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 ◽

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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