Electronic and Thermal Properties of Monolayer MoS2: A First-Principles Study

Materials Today Proceedings ◽

10.1016/j.matpr.2021.08.183 ◽

2021 ◽

Vol 47 ◽

pp. 6464-6468

Author(s):

Amreen Bano ◽

Neeraj K. Gaur

Keyword(s):

Thermal Properties ◽

First Principles ◽

Monolayer Mos2 ◽

First Principles Study

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The electronic structures, elastic constants, dielectric permittivity, phonon spectra, thermal properties and optical response of monolayer zirconium dioxide: A first-principles study

Thin Solid Films ◽

10.1016/j.tsf.2021.138549 ◽

2021 ◽

Vol 721 ◽

pp. 138549

Author(s):

Yan Zhang ◽

Hua-Xin Chen ◽

Li Duan ◽

Ji-Bin Fan

Keyword(s):

Thermal Properties ◽

Dielectric Permittivity ◽

Elastic Constants ◽

First Principles ◽

Electronic Structures ◽

Zirconium Dioxide ◽

Optical Response ◽

First Principles Study ◽

Phonon Spectra

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First Principles Study on Properties of Monolayer MoS2 Under Different Strains

Brazilian Journal of Physics ◽

10.1007/s13538-021-00927-2 ◽

2021 ◽

Author(s):

Yanping Wang ◽

Shan Huang ◽

Hui Zhao ◽

Kaiyuan Liu

Keyword(s):

First Principles ◽

Monolayer Mos2 ◽

First Principles Study ◽

Different Strains

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First-principles study of structural, elastic, electronic, and thermal properties of LaAlO3 perovskite

Computational Materials Science ◽

10.1016/j.commatsci.2009.01.011 ◽

2009 ◽

Vol 45 (4) ◽

pp. 1068-1072 ◽

Cited By ~ 23

Author(s):

A. Boudali ◽

B. Amrani ◽

M. Driss khodja ◽

A. Abada ◽

K. Amara

Keyword(s):

Thermal Properties ◽

First Principles ◽

First Principles Study

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Electronic structure, phonons, and thermal properties of ScN, ZrN, and HfN: A first-principles study

Journal of Applied Physics ◽

10.1063/1.3291117 ◽

2010 ◽

Vol 107 (3) ◽

pp. 033715 ◽

Cited By ~ 85

Author(s):

Bivas Saha ◽

Jagaran Acharya ◽

Timothy D. Sands ◽

Umesh V. Waghmare

Keyword(s):

Electronic Structure ◽

Thermal Properties ◽

First Principles ◽

First Principles Study

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Formaldehyde molecule adsorption on the doped monolayer MoS2: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2016.02.230 ◽

2016 ◽

Vol 371 ◽

pp. 180-188 ◽

Cited By ~ 66

Author(s):

Dongwei Ma ◽

Weiwei Ju ◽

Tingxian Li ◽

Gui Yang ◽

Chaozheng He ◽

...

Keyword(s):

First Principles ◽

Monolayer Mos2 ◽

First Principles Study ◽

Molecule Adsorption ◽

Formaldehyde Molecule

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Enhancing photocatalytic activity in monolayer MoS2 by charge compensated co-doping with P and Cl: First principles study

Molecular Catalysis ◽

10.1016/j.mcat.2019.02.002 ◽

2019 ◽

Vol 468 ◽

pp. 94-99 ◽

Cited By ~ 2

Author(s):

Yafei Zhao ◽

Yizhe Sun ◽

Xiaoying Hu ◽

Jian Tu ◽

Qinwu Gao ◽

...

Keyword(s):

Photocatalytic Activity ◽

First Principles ◽

Monolayer Mos2 ◽

Co Doping ◽

First Principles Study

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First-Principles Study of Lattice Dynamics and Thermal Properties of Alkaline-Earth Metal Nitrides CaN, SrN, and BaN

Journal of Superconductivity and Novel Magnetism ◽

10.1007/s10948-017-4007-7 ◽

2017 ◽

Vol 30 (8) ◽

pp. 2091-2097 ◽

Cited By ~ 1

Author(s):

Moulay Hadj Ahmed Mazouz ◽

Amina Aiche ◽

Doumi Bendouma ◽

Abdelkader Tadjer

Keyword(s):

Thermal Properties ◽

First Principles ◽

Lattice Dynamics ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

Metal Nitrides ◽

First Principles Study

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First-principles study of the phonon vibrational spectra and thermal properties of hexagonal MoS2

Solid State Sciences ◽

10.1016/j.solidstatesciences.2014.12.004 ◽

2015 ◽

Vol 40 ◽

pp. 1-6 ◽

Cited By ~ 10

Author(s):

Jiaonan Yuan ◽

Zhenlong Lv ◽

Qing Lu ◽

Yan Cheng ◽

Xiangrong Chen ◽

...

Keyword(s):

Thermal Properties ◽

Vibrational Spectra ◽

First Principles ◽

First Principles Study

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Influence of Mo-vacancy concentration on the structural, electronic and optical properties of monolayer MoS2: A first-principles study

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2018.01.015 ◽

2018 ◽

Vol 209 ◽

pp. 146-151 ◽

Cited By ~ 11

Author(s):

Li-ping Feng ◽

Han-qing Sun ◽

Ao Li ◽

Jie Su ◽

Yan Zhang ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Vacancy Concentration ◽

Monolayer Mos2 ◽

Electronic And Optical Properties ◽

First Principles Study

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Improvement of gas-adsorption performances of Ag-functionalized monolayer MoS2 surfaces: A first-principles study

Journal of Applied Physics ◽

10.1063/1.5022829 ◽

2018 ◽

Vol 123 (17) ◽

pp. 175303 ◽

Cited By ~ 7

Author(s):

Jian Song ◽

Huan Lou

Keyword(s):

First Principles ◽

Gas Adsorption ◽

Monolayer Mos2 ◽

First Principles Study

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