The role of biaxial strain and pressure on the thermoelectric performance of SnSe2: a first principles study

Semiconductor Science and Technology ◽

10.1088/1361-6641/ab0c3b ◽

2019 ◽

Vol 34 (5) ◽

pp. 055009 ◽

Author(s):

Y Javed ◽

Sikander M Mirza ◽

Chuanbo Li ◽

Xiulai Xu ◽

M A Rafiq

Keyword(s):

First Principles ◽

Thermoelectric Performance ◽

Biaxial Strain ◽

First Principles Study

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Thermoelectric performance of silicene under uniform biaxial strain: A first principles study

Superlattices and Microstructures ◽

10.1016/j.spmi.2021.106944 ◽

2021 ◽

pp. 106944

Author(s):

Neelsh Gupta ◽

Rekha Verma

Keyword(s):

First Principles ◽

Thermoelectric Performance ◽

Biaxial Strain ◽

First Principles Study

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Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp03690k ◽

2020 ◽

Vol 22 (36) ◽

pp. 20914-20921 ◽

Author(s):

Rajmohan Muthaiah ◽

Jivtesh Garg

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

High Thermal Conductivity ◽

Biaxial Strain ◽

Length Scales ◽

First Principles Study ◽

Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

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On the Role of Ti(IV) as a Lewis Acid in the Chemistry of Titanium Zeolites: Formation, Structure, Reactivity, and Aging of Ti−Peroxo Oxidizing Intermediates. A First Principles Study

The Journal of Physical Chemistry B ◽

10.1021/jp065494m ◽

2006 ◽

Vol 110 (43) ◽

pp. 21651-21661 ◽

Author(s):

Eleonora Spanó ◽

Gloria Tabacchi ◽

Aldo Gamba ◽

Ettore Fois

Keyword(s):

First Principles ◽

First Principles Study

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First-Principles Study of ABO3: Role of the B–O Coulomb Repulsions for Ferroelectricity and Piezoelectricity

Ferroelectrics - Characterization and Modeling ◽

10.5772/17487 ◽

2011 ◽

Author(s):

Kaoru Miura

Keyword(s):

First Principles ◽

First Principles Study

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Role of heteroatoms in the adsorption of thiazole on Cu (1 1 1) surface: First principles study

Corrosion Science ◽

10.1016/j.corsci.2018.12.014 ◽

2019 ◽

Vol 148 ◽

pp. 171-177 ◽

Author(s):

Junwei Mao ◽

Xiaohong He ◽

Yongming Tang

Keyword(s):

First Principles ◽

First Principles Study

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First-principles study of square phase MX2 and Janus MXY (M=Mo, W; X, Y=S, Se, Te) transition metal dichalcogenide monolayers under biaxial strain

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2019.02.009 ◽

2019 ◽

Vol 110 ◽

pp. 134-139 ◽

Author(s):

Yunzhen Zhang ◽

Han Ye ◽

Zhongyuan Yu ◽

Yumin Liu ◽

Yinfeng Li

Keyword(s):

Transition Metal ◽

First Principles ◽

Transition Metal Dichalcogenide ◽

Biaxial Strain ◽

First Principles Study

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First principles study of electronic and thermoelectric performance of Li intercalated MoSe2 nanotubes

10.1063/1.4980818 ◽

2017 ◽

Author(s):

Munish Sharma ◽

Ashok Kumar ◽

Ravindra Pandey ◽

P. K. Ahluwalia

Keyword(s):

First Principles ◽

Thermoelectric Performance ◽

First Principles Study

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First principles study of single-layer SnSe2 under biaxial strain and electric field: Modulation of electronic properties

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2019.03.025 ◽

2019 ◽

Vol 111 ◽

pp. 201-205 ◽

Author(s):

Nguyen D. Hien ◽

Nguyen Q. Cuong ◽

Le M. Bui ◽

Pham C. Dinh ◽

Chuong V. Nguyen ◽

...

Keyword(s):

Electric Field ◽

Electronic Properties ◽

First Principles ◽

Single Layer ◽

Biaxial Strain ◽

First Principles Study ◽

Field Modulation

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Ultralow lattice thermal conductivity and high thermoelectric performance of monolayer KCuTe: a first principles study

RSC Advances ◽

10.1039/c9ra07828b ◽

2019 ◽

Vol 9 (62) ◽

pp. 36301-36307 ◽

Author(s):

Jinjie Gu ◽

Lirong Huang ◽

Shengzong Liu

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

Lattice Thermal Conductivity ◽

Thermoelectric Performance ◽

First Principles Study ◽

The excellent thermoelectric performance of monolayer KCuTe is discovered by first-principles study for the first time.

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First principles study of reactions in alucone growth: the role of the organic precursor

Dalton Transactions ◽

10.1039/d0dt01376e ◽

2020 ◽

Vol 49 (25) ◽

pp. 8710-8721

Author(s):

Arbresha Muriqi ◽

Michael Nolan

Keyword(s):

Molecular Mechanism ◽

First Principles ◽

Organic Precursor ◽

First Principles Study ◽

Inorganic Thin Films ◽

Aluminium Alkoxides

First principles investigation of the molecular mechanism of the growth of hybrid organic–inorganic thin films of aluminium alkoxides, known as “alucones”.

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