Transition-metal nitride halide dielectrics for transition-metal dichalcogenide transistors

First Principles Calculations ◽

Metal Nitride ◽

Mos Transistor ◽

Transition Metal Nitride

Using first-principles calculations, we investigate six transition-metal nitride halides as potential vdW dielectrics for transition metal dichalcogenide channel transistors. We identify the best combinations for the p-MOS transistor technology.

Structural Transformations in Two-Dimensional Transition-Metal Dichalcogenide MoS2 under an Electron Beam: Insights from First-Principles Calculations

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.7b01177 ◽

2017 ◽

Vol 8 (13) ◽

pp. 3061-3067 ◽

Cited By ~ 48

Author(s):

Silvan Kretschmer ◽

Hannu-Pekka Komsa ◽

Peter Bøggild ◽

Arkady V. Krasheninnikov

Keyword(s):

Electron Beam ◽

Transition Metal ◽

First Principles ◽

Structural Transformations ◽

Two Dimensional ◽

Unconventional spin-orbit torque in transition metal dichalcogenide–ferromagnet bilayers from first-principles calculations

Physical Review B ◽

10.1103/physrevb.102.014401 ◽

2020 ◽

Vol 102 (1) ◽

Cited By ~ 3

Author(s):

Fei Xue ◽

Christoph Rohmann ◽

Junwen Li ◽

Vivek Amin ◽

Paul Haney

Keyword(s):

Transition Metal ◽

First Principles ◽

Spin Orbit ◽

First-principles study of electronic structure of transition metal nitride: ReN under normal and high pressure

Physica B Condensed Matter ◽

10.1016/j.physb.2011.05.046 ◽

2011 ◽

Vol 406 (17) ◽

pp. 3303-3307 ◽

Cited By ~ 6

Author(s):

A.T. Asvini meenaatci ◽

R. Rajeswarapalanichamy ◽

K. Iyakutti

Keyword(s):

High Pressure ◽

Electronic Structure ◽

Transition Metal ◽

First Principles ◽

Metal Nitride ◽

Transition Metal Nitride ◽

First Principles Study

The role of Anderson’s rule in determining electronic, optical and transport properties of transition metal dichalcogenide heterostructures

Physical Chemistry Chemical Physics ◽

10.1039/c8cp05522j ◽

2018 ◽

Vol 20 (48) ◽

pp. 30351-30364 ◽

Cited By ~ 10

Author(s):

Ke Xu ◽

Yuanfeng Xu ◽

Hao Zhang ◽

Bo Peng ◽

Hezhu Shao ◽

...

Keyword(s):

Optical Properties ◽

Transition Metal ◽

Transport Properties ◽

First Principles ◽

Van Der Waals ◽

We have investigated the structure and electronic, mechanical, transport and optical properties of van der Waals transition metal dichalcogenide heterostructures using first-principles calculations.

Nonlinear Optical Properties of Transition-Metal Dichalcogenide MX2 (M = Mo, W; X = S, Se) Monolayers and Trilayers from First-Principles Calculations

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b01866 ◽

2015 ◽

Vol 119 (23) ◽

pp. 13268-13276 ◽

Cited By ~ 53

Author(s):

Chung-Yu Wang ◽

Guang-Yu Guo

Keyword(s):

Optical Properties ◽

Transition Metal ◽

First Principles ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations

Physical Review B ◽

10.1103/physrevb.94.085415 ◽

2016 ◽

Vol 94 (8) ◽

Cited By ~ 73

Author(s):

Thibault Sohier ◽

Matteo Calandra ◽

Francesco Mauri

Keyword(s):

Transition Metal ◽

First Principles ◽

Theoretical Modeling ◽

Two Dimensional ◽

Wrinkle facilitated hydrogen evolution reaction of vacancy-defected transition metal dichalcogenide monolayers

Nanoscale ◽

10.1039/d1nr06417g ◽

2021 ◽

Author(s):

Mingjie Pu ◽

Yufeng Guo ◽

Wanlin Guo

Keyword(s):

Hydrogen Production ◽

Transition Metal ◽

Hydrogen Evolution ◽

Hydrogen Evolution Reaction ◽

First Principles ◽

Transition Metal Dichalcogenides ◽

First Principles Calculations ◽

Catalytic Activities ◽

Metal Dichalcogenides

Utilizing transition metal dichalcogenides (TMDs) as catalysts in hydrogen evolution reaction (HER) exhibits a promising prospect for hydrogen production. Here by first-principles calculations we reveal that the catalytic activities of...

Structure and stability of transition metal nitride interfaces from first-principles: AlN/VN, AlN/TiN, and VN/TiN

Applied Surface Science ◽

10.1016/j.apsusc.2012.02.046 ◽

2012 ◽

Vol 258 (15) ◽

pp. 5638-5645 ◽

Cited By ~ 28

Author(s):

C. Stampfl ◽

A.J. Freeman

Keyword(s):

Transition Metal ◽

First Principles ◽

Metal Nitride ◽

Structure And Stability ◽

Transition Metal Nitride

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

Nanoscale ◽

10.1039/d0nr09169c ◽

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 ◽

Two Dimensional ◽

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...