Tungsten Carbide Supports for Single-Atom Platinum-Based Fuel-Cell Catalysts: First-Principles Study on the Metal–Support Interactions and O2 Dissociation on WxC Low-Index Surfaces

Chee Kok Poh; San Hua Lim; Jianyi Lin; Yuan Ping Feng

doi:10.1021/jp4070328

Tungsten Carbide Supports for Single-Atom Platinum-Based Fuel-Cell Catalysts: First-Principles Study on the Metal–Support Interactions and O2 Dissociation on WxC Low-Index Surfaces

The Journal of Physical Chemistry C ◽

10.1021/jp4070328 ◽

2014 ◽

Vol 118 (25) ◽

pp. 13525-13538 ◽

Cited By ~ 35

Author(s):

Chee Kok Poh ◽

San Hua Lim ◽

Jianyi Lin ◽

Yuan Ping Feng

Keyword(s):

Fuel Cell ◽

Tungsten Carbide ◽

First Principles ◽

Single Atom ◽

First Principles Study ◽

Fuel Cell Catalysts ◽

Metal Support ◽

Metal Support Interactions ◽

O2 Dissociation

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Fabrication and modification of the supported Al nanoparticles on the Al(001) and (110) surfaces using the reversible vertical single-atom manipulation with the Cu and Pt trimer-apex tips: a first-principles study

Journal of Nanoparticle Research ◽

10.1007/s11051-010-0111-3 ◽

2010 ◽

Vol 13 (3) ◽

pp. 1191-1196 ◽

Cited By ~ 1

Author(s):

Y. Q. Xie ◽

T. X. Yang ◽

F. Liu ◽

W. Z. Shi ◽

L. Huang

Keyword(s):

First Principles ◽

Single Atom ◽

First Principles Study ◽

Al Nanoparticles ◽

Atom Manipulation

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Interactions between hydrogen and tungsten carbide: a first principles study

RSC Advances ◽

10.1039/c4ra06225f ◽

2014 ◽

Vol 4 (75) ◽

pp. 39912 ◽

Cited By ~ 12

Author(s):

Yongjie Xi ◽

Liang Huang ◽

Robert C. Forrey ◽

Hansong Cheng

Keyword(s):

Tungsten Carbide ◽

First Principles ◽

First Principles Study ◽

And Tungsten

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Metal–Support Interactions of Single-Atom Catalysts for Biomedical Applications

ACS Applied Materials & Interfaces ◽

10.1021/acsami.1c18797 ◽

2021 ◽

Author(s):

Qiaolan Shi ◽

Tianrong Yu ◽

Renfei Wu ◽

Jian Liu

Keyword(s):

Biomedical Applications ◽

Single Atom ◽

Metal Support ◽

Metal Support Interactions

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Electrocatalytic Performance of Mn-adsorbed g-C3N4: A First-Principles Study

Journal of Materials Chemistry A ◽

10.1039/d1ta07286b ◽

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...

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Hydrogenation of CO2 to formic acid on the single atom catalysis Cu/C2N: A first principles study

Applied Surface Science ◽

10.1016/j.apsusc.2019.03.187 ◽

2019 ◽

Vol 488 ◽

pp. 1-9 ◽

Cited By ~ 7

Author(s):

Junmei Ma ◽

Hongwei Gong ◽

Tong Zhang ◽

Hong Yu ◽

Rong Zhang ◽

...

Keyword(s):

Formic Acid ◽

First Principles ◽

Single Atom ◽

Hydrogenation Of Co2 ◽

First Principles Study

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Adsorption characteristics of acid gases (NO, NO2, SO2 and SO3) on different single-atom nickel adsorbent: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2020.146939 ◽

2020 ◽

Vol 527 ◽

pp. 146939

Author(s):

Zhengyang Gao ◽

Linlin Li ◽

Hanyu Huang ◽

Shaopeng Xu ◽

Ge Yan ◽

...

Keyword(s):

First Principles ◽

Single Atom ◽

Acid Gases ◽

Adsorption Characteristics ◽

First Principles Study

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Fabrication, characterization, and stability of supported single-atom catalysts

Catalysis Science & Technology ◽

10.1039/c7cy00723j ◽

2017 ◽

Vol 7 (19) ◽

pp. 4250-4258 ◽

Cited By ~ 53

Author(s):

Yaxin Chen ◽

Zhiwei Huang ◽

Zhen Ma ◽

Jianmin Chen ◽

Xingfu Tang

Keyword(s):

Catalytic Activity ◽

Single Atom ◽

Metal Support ◽

Metal Support Interactions

Strong metal–support interactions are key requirements for development of stable single-atom catalysts with pronounced catalytic activity.

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Structural stability and O2 dissociation on nitrogen-doped graphene with transition metal atoms embedded: A first-principles study

AIP Advances ◽

10.1063/1.4922841 ◽

2015 ◽

Vol 5 (6) ◽

pp. 067136 ◽

Cited By ~ 20

Author(s):

Mingye Yang ◽

Lu Wang ◽

Min Li ◽

Tingjun Hou ◽

Youyong Li

Keyword(s):

Transition Metal ◽

Structural Stability ◽

First Principles ◽

Nitrogen Doped ◽

First Principles Study ◽

Metal Atoms ◽

Transition Metal Atoms ◽

Nitrogen Doped Graphene ◽

Doped Graphene ◽

O2 Dissociation

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First-Principles Study of Dopant Effect on Hydrogen Oxidation in Anode of Solid Oxide Fuel Cell

ECS Transactions ◽

10.1149/07801.1469ecst ◽

2017 ◽

Vol 78 (1) ◽

pp. 1469-1475 ◽

Cited By ~ 2

Author(s):

Albert M Iskandarov ◽

Tomofumi Tada

Keyword(s):

Fuel Cell ◽

Solid Oxide Fuel Cell ◽

First Principles ◽

Hydrogen Oxidation ◽

Solid Oxide ◽

Oxide Fuel ◽

Dopant Effect ◽

First Principles Study

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Influence of defective sites in Pt/C catalysts on the anode of direct methanol fuel cell and their role in CO poisoning: a first-principles study

Carbon letters ◽

10.5714/cl.2015.16.3.198 ◽

2015 ◽

Vol 16 (3) ◽

pp. 198-202 ◽

Cited By ~ 4

Author(s):

Soonchul Kwon ◽

Seung Geol Lee

Keyword(s):

Fuel Cell ◽

First Principles ◽

Direct Methanol Fuel Cell ◽

Co Poisoning ◽

First Principles Study ◽

Direct Methanol ◽

Methanol Fuel Cell ◽

Defective Sites

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