Giant magnetic anisotropy of a 5d transition metal decorated two-dimensional polyphthalocyanine framework

2016 ◽  
Vol 4 (11) ◽  
pp. 2147-2154 ◽  
Author(s):  
Peng Wang ◽  
Xue Jiang ◽  
Jun Hu ◽  
Xiaoming Huang ◽  
Jijun Zhao
Keyword(s):  
Transition Metal ◽  
Magnetic Anisotropy ◽  
First Principles ◽  
Perpendicular Magnetic Anisotropy ◽  
Two Dimensional ◽  
First Principles Calculations

Giant perpendicular magnetic anisotropy is found in a 5d transition-metal adatom decorated two dimensional (2D) polyphthalocyanine framework (TM@Pc) by means of first-principles calculations.

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...

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.

Tuning the electronic structures and magnetism of two-dimensional porous C2N via transition metal embedding

2016 ◽  
Vol 18 (32) ◽  
pp. 22678-22686 ◽  
Author(s):  
Juan Du ◽  
Congxin Xia ◽  
Wenqi Xiong ◽  
Xu Zhao ◽  
Tianxing Wang ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Electronic Structures ◽  
Two Dimensional ◽  
First Principles Calculations

Based on first-principles calculations, the electronic structures and magnetism are investigated in 3d transition metal (TM)-embedded porous two-dimensional (2D) C2N monolayers.

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.

Sign in / Sign up

Export Citation Format

Share Document