scholarly journals Intrinsic defects, Mo‐related defects, and complexes in transition‐metal carbide VC: A first‐principles study

2020 ◽  
Vol 103 (12) ◽  
pp. 7226-7239
Author(s):  
Jing Guo ◽  
Yunli Feng ◽  
Cong Tang ◽  
Xuejun Ren
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Transition Metal Carbide ◽  
Metal Carbide ◽  
Intrinsic Defects ◽  
First Principles Study

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

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.

scholarly journals Correction: Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study

2021 ◽  
Author(s):  
Ho Ngoc Nam ◽  
Ryo Yamada ◽  
Haruki Okumura ◽  
Tien Quang Nguyen ◽  
Katsuhiro Suzuki ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transport Properties ◽  
Thermoelectric Material ◽  
First Principles ◽  
Defect Formation ◽  
Chem Phys ◽  
Intrinsic Defect ◽  
Transition Metal Doping ◽  
Metal Doping ◽  
First Principles Study

Correction for ‘Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study’ by Ho Ngoc Nam et al., Phys. Chem. Chem. Phys., 2021, DOI: 10.1039/d0cp06624a.

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
Sign in / Sign up

Export Citation Format

Share Document