First-Principles Based Analysis of the Electrocatalytic Activity of the Unreconstructed Pt(100) Surface for Oxygen Reduction Reaction

Byungchan Han; Venkatasubramanian Viswanathan; Heinz Pitsch

doi:10.1021/jp2075379

First-Principles Based Analysis of the Electrocatalytic Activity of the Unreconstructed Pt(100) Surface for Oxygen Reduction Reaction

The Journal of Physical Chemistry C ◽

10.1021/jp2075379 ◽

2012 ◽

Vol 116 (10) ◽

pp. 6174-6183 ◽

Cited By ~ 43

Author(s):

Byungchan Han ◽

Venkatasubramanian Viswanathan ◽

Heinz Pitsch

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Electrocatalytic Activity ◽

Reduction Reaction

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First-Principles Studies on Electrocatalytic Activity of Novel Two-Dimensional MA2Z4 Monolayers toward Oxygen Reduction Reaction

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c07044 ◽

2021 ◽

Author(s):

Yuping Chen ◽

Shufang Tian ◽

Qing Tang

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Electrocatalytic Activity ◽

Reduction Reaction ◽

Two Dimensional

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Size-selective electrocatalytic activity of (Pt)n/MoS2 for oxygen reduction reaction

Catalysis Science & Technology ◽

10.1039/c6cy01050d ◽

2016 ◽

Vol 6 (16) ◽

pp. 6389-6395 ◽

Cited By ~ 12

Author(s):

Pallavi Bothra ◽

Mohnish Pandey ◽

Swapan K. Pati

Keyword(s):

Density Functional Theory ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Electrocatalytic Activity ◽

Density Functional ◽

Reduction Reaction ◽

Functional Theory

In the present work, we have investigated the electrocatalytic activity of the oxygen reduction reaction (ORR), O2 + 4H+ + 4e− → 2H2O, for (Pt)n clusters (n = 1, 2, 3, 5, 7, 10 and 12) adsorbed on semiconducting (2H) and metallic (1T) MoS2 monolayers using first principles density functional theory.

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First-Principles Analysis of the Electrocatalytic Activity of Pt(100) Surface for Oxygen Reduction Reaction

ECS Meeting Abstracts ◽

10.1149/ma2012-02/13/1524 ◽

2012 ◽

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Electrocatalytic Activity ◽

Reduction Reaction

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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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First-principles data integrated machine learning approach for high-throughput searching of ternary electrocatalyst toward oxygen reduction reaction

Chem Catalysis ◽

10.1016/j.checat.2021.06.001 ◽

2021 ◽

Author(s):

Hoje Chun ◽

Eunjik Lee ◽

Kyungju Nam ◽

Ji-Hoon Jang ◽

Woomin Kyoung ◽

...

Keyword(s):

Machine Learning ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

High Throughput ◽

First Principles ◽

Reduction Reaction ◽

Learning Approach ◽

Machine Learning Approach

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Structure and Electrocatalytic Activity of Carbon-Supported Pt−Ni Alloy Nanoparticles Toward the Oxygen Reduction Reaction

The Journal of Physical Chemistry B ◽

10.1021/jp049034+ ◽

2004 ◽

Vol 108 (30) ◽

pp. 11024-11034 ◽

Cited By ~ 239

Author(s):

Hui Yang ◽

Walter Vogel ◽

Claude Lamy ◽

Nicolás Alonso-Vante

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Electrocatalytic Activity ◽

Reduction Reaction ◽

Alloy Nanoparticles ◽

Ni Alloy

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Surface Structure Dependent Electrocatalytic Activity of Co3O4 Anchored on Graphene Sheets toward Oxygen Reduction Reaction

Scientific Reports ◽

10.1038/srep02300 ◽

2013 ◽

Vol 3 (1) ◽

Cited By ~ 204

Author(s):

Junwu Xiao ◽

Qin Kuang ◽

Shihe Yang ◽

Fei Xiao ◽

Shuai Wang ◽

...

Keyword(s):

Oxygen Reduction Reaction ◽

Surface Structure ◽

Oxygen Reduction ◽

Electrocatalytic Activity ◽

Reduction Reaction ◽

Graphene Sheets

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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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Tailoring molecular architectures of Fe phthalocyanine on nanocarbon supports for high oxygen reduction performance

Journal of Materials Chemistry A ◽

10.1039/c5ta01400j ◽

2015 ◽

Vol 3 (18) ◽

pp. 10013-10019 ◽

Cited By ~ 39

Author(s):

Shiming Zhang ◽

Heyou Zhang ◽

Xing Hua ◽

Shengli Chen

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Alkaline Solution ◽

Electrocatalytic Activity ◽

Reduction Reaction ◽

High Oxygen ◽

Molecular Architectures

Tailored molecular architectures of FePc on nanocarbon supports from nanorods to uniform shells exhibit excellent electrocatalytic activity for the oxygen reduction reaction in alkaline solution.

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