First-principles study of rocksalt early transition-metal carbides as potential catalysts for Li–O2 batteries

Yingying Yang; Yuelin Wang; Man Yao; Xudong Wang; Hao Huang

doi:10.1039/c8cp06745g

First-principles study of rocksalt early transition-metal carbides as potential catalysts for Li–O2 batteries

Physical Chemistry Chemical Physics ◽

10.1039/c8cp06745g ◽

2018 ◽

Vol 20 (48) ◽

pp. 30231-30238 ◽

Cited By ~ 3

Author(s):

Yingying Yang ◽

Yuelin Wang ◽

Man Yao ◽

Xudong Wang ◽

Hao Huang

Keyword(s):

Catalytic Activity ◽

Transition Metal ◽

First Principles ◽

First Principles Calculations ◽

Metal Carbides ◽

Early Transition Metal ◽

Transition Metal Carbides ◽

First Principles Study ◽

Early Transition

A series of early transition-metal carbides (TMCs) in the NaCl structure have been constructed to compare the catalytic activity in Li–O2 batteries by first-principles calculations.

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First principles study of two-dimensional early transition metal carbides

MRS Communications ◽

10.1557/mrc.2012.25 ◽

2012 ◽

Vol 2 (4) ◽

pp. 133-137 ◽

Cited By ~ 209

Author(s):

Murat Kurtoglu ◽

Michael Naguib ◽

Yury Gogotsi ◽

Michel W. Barsoum

Keyword(s):

Transition Metal ◽

First Principles ◽

Two Dimensional ◽

Metal Carbides ◽

Early Transition Metal ◽

Transition Metal Carbides ◽

First Principles Study ◽

Image Position ◽

Early Transition

Abstract

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Platinum supported on early transition metal carbides: Efficient electrocatalysts for methanol electro-oxidation reaction in alkaline electrolyte

Chemical Engineering Journal ◽

10.1016/j.cej.2020.126670 ◽

2021 ◽

Vol 406 ◽

pp. 126670

Author(s):

Olabode T. Ajenifujah ◽

Amideddin Nouralishahi ◽

Sarah Carl ◽

Shawn C. Eady ◽

Zhao Jiang ◽

...

Keyword(s):

Transition Metal ◽

Oxidation Reaction ◽

Alkaline Electrolyte ◽

Metal Carbides ◽

Early Transition Metal ◽

Transition Metal Carbides ◽

Electro Oxidation ◽

Early Transition

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Pretreatment Effects On Charge Storage of Early Transition-Metal Carbides and Nitrides

ECS Meeting Abstracts ◽

10.1149/ma2013-02/9/616 ◽

2013 ◽

Keyword(s):

Transition Metal ◽

Charge Storage ◽

Metal Carbides ◽

Early Transition Metal ◽

Transition Metal Carbides ◽

Pretreatment Effects ◽

Early Transition

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First Principles Study of Structural Stability and Electronic Structure of 4d Transition Metal Carbides TMC2 (TM= Ru, Rh, Pd)

IOSR Journal of Applied Physics ◽

10.9790/4861-17002023841 ◽

2017 ◽

Vol 02 (01) ◽

pp. 38-41

Author(s):

M. Manikandan ◽

M. Santhosh ◽

A. Amudhavalli ◽

R. Rajeswarapalanichamy ◽

K. Iyakutti

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Structural Stability ◽

First Principles ◽

Metal Carbides ◽

Transition Metal Carbides ◽

First Principles Study

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Fischer–Tropsch synthesis over early transition metal carbides and nitrides: CO activation and chain growth

Journal of Catalysis ◽

10.1016/j.jcat.2015.05.020 ◽

2015 ◽

Vol 329 ◽

pp. 325-334 ◽

Cited By ~ 32

Author(s):

Joshua A. Schaidle ◽

Levi T. Thompson

Keyword(s):

Transition Metal ◽

Tropsch Synthesis ◽

Chain Growth ◽

Metal Carbides ◽

Fischer Tropsch ◽

Fischer Tropsch Synthesis ◽

Early Transition Metal ◽

Transition Metal Carbides ◽

Co Activation ◽

Early Transition

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First-principles study of superconductivity and Fermi-surface nesting in ultrahard transition metal carbides

Physical Review B ◽

10.1103/physrevb.77.180507 ◽

2008 ◽

Vol 77 (18) ◽

Cited By ~ 24

Author(s):

Jesse Noffsinger ◽

Feliciano Giustino ◽

Steven G. Louie ◽

Marvin L. Cohen

Keyword(s):

Transition Metal ◽

Fermi Surface ◽

First Principles ◽

Metal Carbides ◽

Transition Metal Carbides ◽

First Principles Study ◽

Fermi Surface Nesting

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First-principles study of transition metal carbides

Materials Research Express ◽

10.1088/2053-1591/3/12/126502 ◽

2016 ◽

Vol 3 (12) ◽

pp. 126502 ◽

Cited By ~ 10

Author(s):

Damien Connétable

Keyword(s):

Transition Metal ◽

First Principles ◽

Metal Carbides ◽

Transition Metal Carbides ◽

First Principles Study

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Characterization of early transition metal carbides and nitrides by NEXAFS

Catalysis Letters ◽

10.1007/bf00808333 ◽

1995 ◽

Vol 34 (1-2) ◽

pp. 179-189 ◽

Cited By ~ 29

Author(s):

R. Kapoor ◽

S. T. Oyama ◽

B. Friihberger ◽

B. D. DeVries ◽

J. G. Chen

Keyword(s):

Transition Metal ◽

Metal Carbides ◽

Early Transition Metal ◽

Transition Metal Carbides ◽

Early Transition

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Structural, elastic and electronic properties of transition metal carbides TMC (TM=Ti, Zr, Hf and Ta) from first-principles calculations

Solid State Communications ◽

10.1016/j.ssc.2011.02.005 ◽

2011 ◽

Vol 151 (8) ◽

pp. 602-606 ◽

Cited By ~ 54

Author(s):

Hui Li ◽

Litong Zhang ◽

Qingfeng Zeng ◽

Kang Guan ◽

Kaiyuan Li ◽

...

Keyword(s):

Transition Metal ◽

Electronic Properties ◽

First Principles ◽

First Principles Calculations ◽

Metal Carbides ◽

Transition Metal Carbides

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First-principles study of elastic and electronic properties of several ternary transition-metal carbides

Acta Physica Sinica ◽

10.7498/aps.59.4919 ◽

2010 ◽

Vol 59 (7) ◽

pp. 4919

Author(s):

Yang Tian-Xing ◽

Cheng Qiang ◽

Xu Hong-Bin ◽

Wang Yuan-Xu

Keyword(s):

Transition Metal ◽

Electronic Properties ◽

First Principles ◽

Metal Carbides ◽

Transition Metal Carbides ◽

First Principles Study

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