scholarly journals Janus two-dimensional transition metal dichalcogenide oxides: First-principles investigation of WXO monolayers with X=S , Se, and Te

2021 ◽  
Vol 103 (19) ◽  
Author(s):  
M. Jahangirzadeh Varjovi ◽  
M. Yagmurcukardes ◽  
F. M. Peeters ◽  
E. Durgun
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Transition Metal Dichalcogenide ◽  
Two Dimensional

scholarly journals MoS2/MX2 heterobilayers: bandgap engineering via tensile strain or external electrical field

Nanoscale ◽  
2014 ◽  
Vol 6 (5) ◽  
pp. 2879-2886 ◽  
Author(s):  
Ning Lu ◽  
Hongyan Guo ◽  
Lei Li ◽  
Jun Dai ◽  
Lu Wang ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
First Principles ◽  
Tensile Strain ◽  
Transition Metal Dichalcogenide ◽  
Two Dimensional ◽  
Bandgap Engineering ◽  
Electrical Field ◽  
Electronic And Magnetic Properties ◽  
External Electrical Field

We have performed a comprehensive first-principles study of the electronic and magnetic properties of two-dimensional (2D) transition-metal dichalcogenide (TMD) heterobilayers MX2/MoS2 (M = Mo, Cr, W, Fe, V; X = S, Se).

Improved thermoelectric properties of WS2-WSe2 phononic crystals: insights from first-principles calculations

Nanoscale ◽  
2021 ◽  
Author(s):  
Dan Han ◽  
Xiaoheng Yang ◽  
Mu Du ◽  
Gongming Xin ◽  
Jingchao Zhang ◽  
...  
Keyword(s):  
Transition Metal ◽  
Physical Properties ◽  
Thermoelectric Properties ◽  
First Principles ◽  
Phononic Crystals ◽  
Transition Metal Dichalcogenide ◽  
Two Dimensional ◽  
First Principles Calculations

Recently, two-dimensional transition metal dichalcogenide (TMDC) monolayers have stirred much attention owing to their excellent physical properties. In the present study, we systematically investigate the thermoelectric properties of different WS2-WSe2...

Anisotropic Rashba splitting in Pt-based Janus monolayers PtXY (X,Y = S, Se, or Te)

2021 ◽  
Author(s):  
Paul Albert L. Sino ◽  
Liang-Ying Feng ◽  
Rovi Angelo Angelo B. Villaos ◽  
Harvey N. Cruzado ◽  
Zhi-Quan Huang ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Transition Metal Dichalcogenide ◽  
Two Dimensional ◽  
Intrinsic Structure ◽  
First Principles Study

Recent studies have demonstrated the feasibility of synthesizing two-dimensional (2D) Janus materials which possess intrinsic structure asymmetry. Hence, we performed a systematic first-principles study of 2D Janus transition metal dichalcogenide...

scholarly journals Visualization of Multifractal Superconductivity in a Two-Dimensional Transition Metal Dichalcogenide in the Weak-Disorder Regime

Nano Letters ◽  
2020 ◽  
Vol 20 (7) ◽  
pp. 5111-5118 ◽  
Author(s):  
Carmen Rubio-Verdú ◽  
Antonio M. Garcı́a-Garcı́a ◽  
Hyejin Ryu ◽  
Deung-Jang Choi ◽  
Javier Zaldı́var ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transition Metal Dichalcogenide ◽  
Two Dimensional ◽  
Weak Disorder

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...

First-principles screening of single transition metal atoms anchored on two-dimensional C9N4 for the nitrogen reduction reaction

2021 ◽  
Vol 23 (14) ◽  
pp. 8784-8791
Author(s):  
Qingling Meng ◽  
Ling Zhang ◽  
Jinge Wu ◽  
Shuwei Zhai ◽  
Xiamin Hao ◽  
...  
Keyword(s):  
Nitrogen Fixation ◽  
Transition Metal ◽  
First Principles ◽  
Reduction Reaction ◽  
Single Atom ◽  
Two Dimensional ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Catalytically Active ◽  
Single Transition

Theoretical screening of transition metal atoms anchored on monolayer C9N4 as highly stable, catalytically active and selective single-atom catalysts for nitrogen fixation.

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