Dimethyl and ethyl methyl ether adsorption studies on β-antimonene nanosheets – a first-principles study

V. Nagarajan; R. Chandiramouli

doi:10.1080/08927022.2020.1822527

Dimethyl and ethyl methyl ether adsorption studies on β-antimonene nanosheets – a first-principles study

Molecular Simulation ◽

10.1080/08927022.2020.1822527 ◽

2020 ◽

Vol 46 (17) ◽

pp. 1354-1361

Author(s):

V. Nagarajan ◽

R. Chandiramouli

Keyword(s):

Methyl Ether ◽

First Principles ◽

Adsorption Studies ◽

First Principles Study ◽

Ethyl Methyl

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Adsorption studies of trimethyl amine and n-butyl amine vapors on stanene nanotube molecular device – A first-principles study

Chemical Physics ◽

10.1016/j.chemphys.2017.12.003 ◽

2018 ◽

Vol 501 ◽

pp. 78-85 ◽

Cited By ~ 26

Author(s):

R. Bhuvaneswari ◽

V. Nagarajan ◽

R. Chandiramouli

Keyword(s):

First Principles ◽

Molecular Device ◽

Adsorption Studies ◽

First Principles Study ◽

Butyl Amine ◽

Trimethyl Amine

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Adsorption studies of 2,3-butanedione and acetic acid on ζ-phosphorene sheets based on the first-principles study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2021.113548 ◽

2021 ◽

pp. 113548

Author(s):

M.S. Jyothi ◽

V. Nagarajan ◽

R. Chandiramouli

Keyword(s):

Acetic Acid ◽

First Principles ◽

Adsorption Studies ◽

First Principles Study

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Molecular adsorption studies of diethyl sulfide and ethyl methyl sulfide vapors on ζ-phosphorene nanoribbon – A first-principles insight

Applied Surface Science ◽

10.1016/j.apsusc.2020.147597 ◽

2020 ◽

Vol 534 ◽

pp. 147597 ◽

Cited By ~ 2

Author(s):

R. Bhuvaneswari ◽

V. Nagarajan ◽

R. Chandiramouli

Keyword(s):

First Principles ◽

Molecular Adsorption ◽

Diethyl Sulfide ◽

Adsorption Studies ◽

Methyl Sulfide ◽

Ethyl Methyl

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FIRST-PRINCIPLES STUDY OF MAGNETISM AND HALF-METALLIC PROPERTIES OF THE D0 QUATERNARY HEUSLER ALLOYS BANYO (Y = K, RB AND CS)

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782012006x ◽

2020 ◽

Vol 111 (11-12(6)) ◽

pp. 819-819

Author(s):

S. BENATMANE ◽

S. CHERID

Keyword(s):

First Principles ◽

Heusler Alloys ◽

Half Metallic ◽

First Principles Study ◽

Quaternary Heusler Alloys

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INSIGHT INTO STRUCTURAL, ELECTRONIC, MAGNETIC AND ELASTIC PROPERTIES OF FULL-HEUSLER ALLOYS CO2YPB (Y = TI, V, FE AND MO): A ﬁRST-PRINCIPLES STUDY

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782017005x ◽

2020 ◽

Vol 112 (5-6(9)) ◽

pp. 312-312

Author(s):

A. ZITOUNI ◽

G. REMIL ◽

B. BOUADJEMI ◽

W. BENSTAALI ◽

T. LANTRI ◽

...

Keyword(s):

Elastic Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study ◽

Full Heusler ◽

Full Heusler Alloys ◽

Insight Into

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First-Principles Study of Mn-rich Ni-Mn-Ga Alloys: Effect of Disorder on Martensitic Transformation

Shape Memory Alloys ◽

10.21741/9781644900017-22 ◽

2018 ◽

Keyword(s):

Martensitic Transformation ◽

First Principles ◽

First Principles Study ◽

Effect Of Disorder

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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 ◽

Cited By ~ 1

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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Adjustable electronic and optical properties of BlueP/MoS2 van der Waals heterostructure by external strain: a first-principles study

Nanotechnology ◽

10.1088/1361-6528/ab978b ◽

2020 ◽

Vol 31 (37) ◽

pp. 375706 ◽

Cited By ~ 1

Author(s):

Fei Yang ◽

Junnan Han ◽

Le Zhang ◽

Xianhong Tang ◽

Zhenguo Zhuo ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Van Der Waals Heterostructure ◽

External Strain

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Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study

AIP Advances ◽

10.1063/1.4936636 ◽

2015 ◽

Vol 5 (11) ◽

pp. 117147 ◽

Cited By ~ 22

Author(s):

Do Duc Cuong ◽

S. H. Rhim ◽

Joo-Hyong Lee ◽

Soon Cheol Hong

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

First Principles ◽

Strain Effect ◽

First Principles Study

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External uniaxial compressive strain induced built-in electric field in bilayer two-dimensional As2S3 for photocatalytic water splitting: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2020.147701 ◽

2021 ◽

Vol 535 ◽

pp. 147701 ◽

Cited By ~ 1

Author(s):

Xuefei Liu ◽

Bing Lv ◽

Zhao Ding ◽

Zijiang Luo

Keyword(s):

Electric Field ◽

Water Splitting ◽

First Principles ◽

Compressive Strain ◽

Two Dimensional ◽

Photocatalytic Water Splitting ◽

First Principles Study

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