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.

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...

Two-dimensional transition metal carbide/nitride (MXene)-based nanomaterials for removal of toxic/radioactive metal ions from wastewater

2022 ◽  
pp. 161-194
Author(s):  
Lin Wang ◽  
Pengcheng Zhang ◽  
Siyi Wang ◽  
Ke Du ◽  
Zhifang Chai ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Transition Metal Carbide ◽  
Two Dimensional ◽  
Metal Carbide

Basal plane activation in monolayer MoTe2 for the hydrogen evolution reaction via phase boundaries

2020 ◽  
Vol 8 (37) ◽  
pp. 19522-19532
Author(s):  
Yiqing Chen ◽  
Pengfei Ou ◽  
Xiaohan Bie ◽  
Jun Song
Keyword(s):  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Basal Plane ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Phase Boundaries ◽  
Metal Dichalcogenides

The 2H/1T′ phase boundary activated hydrogen evolution reaction on two-dimensional transition metal dichalcogenides is well studied by comprehensive first-principles calculations.

Study of the structural and electronic properties of three- and two-dimensional transition-metal dioxides using first-principles calculations

2020 ◽  
Vol 25 ◽  
pp. e00498
Author(s):  
Ángel Humanez Tobar ◽  
Jean F. Murillo G ◽  
César Ortega López ◽  
Jairo Arbey Rodríguez Martínez ◽  
Miguel J. Espitia R
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Structural And Electronic Properties ◽  
Metal Dioxides

scholarly journals Porous Two-Dimensional Transition Metal Carbide (MXene) Flakes for High-Performance Li-Ion Storage

2016 ◽  
Vol 3 (5) ◽  
pp. 689-693 ◽  
Author(s):  
Chang E. Ren ◽  
Meng-Qiang Zhao ◽  
Taron Makaryan ◽  
Joseph Halim ◽  
Muhammad Boota ◽  
...  
Keyword(s):  
Transition Metal ◽  
High Performance ◽  
Transition Metal Carbide ◽  
Two Dimensional ◽  
Metal Carbide ◽  
Ion Storage ◽  
Li Ion

scholarly journals Rational Design of Two-Dimensional Transition Metal Carbide/Nitride (MXene) Hybrids and Nanocomposites for Catalytic Energy Storage and Conversion

ACS Nano ◽  
2020 ◽  
Vol 14 (9) ◽  
pp. 10834-10864 ◽  
Author(s):  
Kang Rui Garrick Lim ◽  
Albertus D. Handoko ◽  
Srinivasa Kartik Nemani ◽  
Brian Wyatt ◽  
Hai-Ying Jiang ◽  
...  
Keyword(s):  
Energy Storage ◽  
Transition Metal ◽  
Rational Design ◽  
Transition Metal Carbide ◽  
Energy Storage And Conversion ◽  
Two Dimensional ◽  
Metal Carbide
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