Pressure and temperature effects on NaCl-type transition metal carbide from first-principles calculations

2010 ◽  
Vol 405 (22) ◽  
pp. 4620-4626 ◽  
Author(s):  
Zhai Zhang-Yin ◽  
Peng Ju ◽  
Zuo Fen ◽  
Ma Chun-Lin ◽  
Cheng Ju ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Temperature Effects ◽  
Transition Metal Carbide ◽  
Metal Carbide ◽  
First Principles Calculations ◽  
Type Transition ◽  
Pressure And Temperature Effects

Structural prediction and multilayer Li+ storage in two-dimensional VC2 carbide studied by first-principles calculations

2019 ◽  
Vol 7 (15) ◽  
pp. 8873-8881 ◽  
Author(s):  
Jing Xu ◽  
Dashuai Wang ◽  
Ruqian Lian ◽  
Xinying Gao ◽  
Yanhui Liu ◽  
...  
Keyword(s):  
Transition Metal ◽  
Electrochemical Properties ◽  
First Principles ◽  
Transition Metal Carbide ◽  
Two Dimensional ◽  
Metal Carbide ◽  
First Principles Calculations ◽  
Structural Prediction ◽  
Li Storage

VC2, a new two-dimensional transition metal carbide containing C2 dimers, shows promising electrochemical properties in LIBs.

Impact of strain on the surface properties of transition metal carbide films: First-principles study

2010 ◽  
Vol 107 (8) ◽  
pp. 083521 ◽  
Author(s):  
D. I. Bazhanov ◽  
I. V. Mutigullin ◽  
A. A. Knizhnik ◽  
B. V. Potapkin ◽  
A. A. Bagaturyants ◽  
...  
Keyword(s):  
Transition Metal ◽  
Surface Properties ◽  
First Principles ◽  
Transition Metal Carbide ◽  
Metal Carbide ◽  
First Principles Study

A first-principles study of the stability and mechanical properties of ternary transition metal carbide alloys

2019 ◽  
Vol 125 (23) ◽  
pp. 235101
Author(s):  
V. I. Ivashchenko ◽  
P. E. A. Turchi ◽  
N. R. Medukh ◽  
V. I. Shevchenko ◽  
Leonid Gorb ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Transition Metal ◽  
First Principles ◽  
Transition Metal Carbide ◽  
Metal Carbide ◽  
First Principles Study ◽  
The Stability

scholarly journals True Nature of the Transition-Metal Carbide/Liquid Interface Determines Its Reactivity

ACS Catalysis ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 4920-4928
Author(s):  
Christoph Griesser ◽  
Haobo Li ◽  
Eva-Maria Wernig ◽  
Daniel Winkler ◽  
Niusha Shakibi Nia ◽  
...  
Keyword(s):  
Transition Metal ◽  
Liquid Interface ◽  
Transition Metal Carbide ◽  
Metal Carbide ◽  
True Nature

scholarly journals Solvent‐Assisted Anisotropic Cleavage of Transition Metal Carbide into 2D Nanoflakes

2021 ◽  
pp. 2100039
Author(s):  
Chen-Xia Hu ◽  
Zhen Tian ◽  
Qi Xiao ◽  
Zhen-Tong Zhu ◽  
Xiang-Yang Li ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transition Metal Carbide ◽  
Metal Carbide

Ferromagnetic Dirac Half-Metallicity in Transition Metal Embedded Honeycomb Borophene

2021 ◽  
Author(s):  
Yanxia Wang ◽  
Xue Jiang ◽  
Yi Wang ◽  
Jijun Zhao
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Valence Electron ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Next Generation ◽  
Half Metallicity ◽  
Counting Rule ◽  
Spintronic Devices ◽  
Electron Counting

Exploring two-dimensional (2D) ferromagnetic materials with intrinsic Dirac half-metallicity is crucial for the development of next-generation spintronic devices. Based on first-principles calculations, here we propose a simple valence electron-counting rule...

Electronic structure modulation of NiS2 by transition metal doping for accelerating the hydrogen evolution reaction

2019 ◽  
Vol 7 (9) ◽  
pp. 4971-4976 ◽  
Author(s):  
Tongtong Wang ◽  
Xiaosong Guo ◽  
Jingyan Zhang ◽  
Wen Xiao ◽  
Pinxian Xi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Catalytic Activity ◽  
Transition Metal ◽  
Hydrogen Evolution Reaction ◽  
Systematic Study ◽  
First Principles ◽  
Transition Metal Doping ◽  
First Principles Calculations ◽  
Structure Modulation ◽  
Metal Doped

We give a systematic study of the HER catalytic activity of transition metal doped NiS2 by first principles calculations and experiments.

Tribo-mechanical properties of reactive magnetron sputtered transition metal carbide coatings

2017 ◽  
Vol 114 ◽  
pp. 234-244 ◽  
Author(s):  
D. Dinesh Kumar ◽  
N. Kumar ◽  
S. Kalaiselvam ◽  
R. Radhika ◽  
Arul Maximus Rabel ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Transition Metal ◽  
Transition Metal Carbide ◽  
Reactive Magnetron ◽  
Metal Carbide ◽  
Carbide Coatings

Durable Transition-Metal-Carbide-Supported Pt-Ru Anodes for Direct Methanol Fuel Cells

Fuel Cells ◽  
2012 ◽  
Vol 12 (1) ◽  
pp. 146-152 ◽  
Author(s):  
K. G. Nishanth ◽  
P. Sridhar ◽  
S. Pitchumani ◽  
A. K. Shukla
Keyword(s):  
Fuel Cells ◽  
Transition Metal ◽  
Direct Methanol Fuel Cells ◽  
Transition Metal Carbide ◽  
Metal Carbide ◽  
Direct Methanol ◽  
Methanol Fuel Cells
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