Adsorption of water on TiN (100), (110) and (111) surfaces: A first-principles study

Suchismita Sanyal; Umesh V. Waghmare; James A. Ruud

doi:10.1016/j.apsusc.2011.02.042

Adsorption of water on TiN (100), (110) and (111) surfaces: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2011.02.042 ◽

2011 ◽

Vol 257 (15) ◽

pp. 6462-6467 ◽

Cited By ~ 13

Author(s):

Suchismita Sanyal ◽

Umesh V. Waghmare ◽

James A. Ruud

Keyword(s):

First Principles ◽

First Principles Study ◽

Adsorption Of Water

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Dissociative adsorption of water on the Si(001) surface: A first-principles study

Physical Review B ◽

10.1103/physrevb.61.4503 ◽

2000 ◽

Vol 61 (7) ◽

pp. 4503-4506 ◽

Cited By ~ 51

Author(s):

Jun-Hyung Cho ◽

Kwang S. Kim ◽

Sung-Hoon Lee ◽

Myung-Ho Kang

Keyword(s):

First Principles ◽

Dissociative Adsorption ◽

First Principles Study ◽

Adsorption Of Water

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First-Principles Study of the Adsorption of Water on Tri-s-triazine-based Graphitic Carbon Nitride

Japanese Journal of Applied Physics ◽

10.1143/jjap.49.115703 ◽

2010 ◽

Vol 49 (11) ◽

pp. 115703 ◽

Cited By ~ 39

Author(s):

Susan Meñez Aspera ◽

Melanie David ◽

Hideaki Kasai

Keyword(s):

First Principles ◽

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principles Study ◽

Adsorption Of Water

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Effects of Vacancy-Defected, Dopant and the Adsorption of Water upon Mn2O3 and Mn3O4 (001) Surfaces: A First-Principles Study

Acta Physica Polonica A ◽

10.12693/aphyspola.133.1178 ◽

2018 ◽

Vol 133 (5) ◽

pp. 1178-1185 ◽

Cited By ~ 1

Author(s):

M. Mansouri

Keyword(s):

First Principles ◽

First Principles Study ◽

Adsorption Of Water

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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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