Stress effects on stability and diffusion behavior of sulfur impurity in nickel: A first-principles study

Computational Materials Science ◽

10.1016/j.commatsci.2014.04.005 ◽

2014 ◽

Vol 90 ◽

pp. 137-142 ◽

Cited By ~ 3

Author(s):

Nan Dong ◽

Caili Zhang ◽

Hui Liu ◽

Juan Li ◽

Xiaolei Wu ◽

...

Keyword(s):

First Principles ◽

Diffusion Behavior ◽

Stress Effects ◽

First Principles Study ◽

And Diffusion

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Effects of nitric acid doping on the adsorption properties and diffusion behavior of Li adsorption on graphene: A first-principles study

Proceedings of the 2018 7th International Conference on Energy, Environment and Sustainable Development (ICEESD 2018) ◽

10.2991/iceesd-18.2018.340 ◽

2018 ◽

Author(s):

Xin Tan ◽

Yaoyao Liu ◽

Xuan Li

Keyword(s):

Nitric Acid ◽

First Principles ◽

Adsorption Properties ◽

Diffusion Behavior ◽

First Principles Study ◽

Li Adsorption ◽

And Diffusion

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The adsorption and diffusion behavior of noble metal adatoms (Pd, Pt, Cu, Ag and Au) on a MoS2 monolayer: a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/c7cp04021k ◽

2017 ◽

Vol 19 (31) ◽

pp. 20713-20722 ◽

Cited By ~ 61

Author(s):

Ping Wu ◽

Naiqiang Yin ◽

Peng Li ◽

Wenjing Cheng ◽

Min Huang

Keyword(s):

Noble Metal ◽

First Principles ◽

Energy Barriers ◽

Diffusion Behavior ◽

First Principles Study ◽

Mos2 Monolayer ◽

And Diffusion

Cu/Pd/Cu adatoms diffuse on a MoS2 monolayer with higher energy barriers and lower mobilities than those of Ag/Au adatoms.

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Stress effects on stability and diffusion of H in W: A first-principles study

Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms ◽

10.1016/j.nimb.2010.12.027 ◽

2011 ◽

Vol 269 (14) ◽

pp. 1731-1734 ◽

Cited By ~ 28

Author(s):

Wen-Ying Li ◽

Ying Zhang ◽

Hong-Bo Zhou ◽

Shuo Jin ◽

Guang-Hong Lu

Keyword(s):

First Principles ◽

Stress Effects ◽

First Principles Study ◽

And Diffusion

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Electronic properties, optical properties and diffusion behavior of WO3 with H+, Li+ and Na+ intercalated ions: A first-principles study

Journal of Solid State Chemistry ◽

10.1016/j.jssc.2021.122082 ◽

2021 ◽

Vol 297 ◽

pp. 122082

Author(s):

Yuanyuan Cui ◽

Qinfan Wang ◽

Guang Yang ◽

Yanfeng Gao

Keyword(s):

Optical Properties ◽

Electronic Properties ◽

First Principles ◽

Diffusion Behavior ◽

First Principles Study ◽

And Diffusion

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First-principles study of lattice dynamics and diffusion inDO3-typeFe3Si

Physical Review B ◽

10.1103/physrevb.73.174303 ◽

2006 ◽

Vol 73 (17) ◽

Cited By ~ 29

Author(s):

S. Dennler ◽

J. Hafner

Keyword(s):

First Principles ◽

Lattice Dynamics ◽

First Principles Study ◽

And Diffusion

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Formation and diffusion of intrinsic point defects in bulk and monolayer MoS 2 : first principles study

physica status solidi (b) ◽

10.1002/pssb.202100479 ◽

2021 ◽

Author(s):

Vasilii Gusakov ◽

Julia Gusakova ◽

Beng Kang Tay

Keyword(s):

Point Defects ◽

First Principles ◽

Intrinsic Point Defects ◽

First Principles Study ◽

And Diffusion

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Ionization and diffusion of metal atoms under electric field at metal/insulator interfaces; First-principles study

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2016.09.010 ◽

2017 ◽

Vol 70 ◽

pp. 78-82 ◽

Cited By ~ 2

Author(s):

Yoshihiro Asayama ◽

Masaaki Hiyama ◽

Takashi Nakayama

Keyword(s):

Electric Field ◽

First Principles ◽

Metal Insulator ◽

First Principles Study ◽

Metal Atoms ◽

And Diffusion

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Adsorption and Diffusion of Lithium and Sodium on Defective Rhenium Disulfide: A First Principles Study

ACS Applied Materials & Interfaces ◽

10.1021/acsami.7b13604 ◽

2018 ◽

Vol 10 (6) ◽

pp. 5373-5384 ◽

Cited By ~ 47

Author(s):

Sankha Mukherjee ◽

Avinav Banwait ◽

Sean Grixti ◽

Nikhil Koratkar ◽

Chandra Veer Singh

Keyword(s):

First Principles ◽

First Principles Study ◽

And Diffusion

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First-principles study of Ni adatom migration on graphene with vacancies

RSC Advances ◽

10.1039/c9ra00999j ◽

2019 ◽

Vol 9 (33) ◽

pp. 18823-18834

Author(s):

E. E. Hernández-Vázquez ◽

F. Munoz ◽

S. López-Moreno ◽

J. L. Morán-López

Keyword(s):

First Principles ◽

First Principles Calculations ◽

P Adsorption ◽

First Principles Study ◽

And Diffusion

Adsorption and diffusion of Ni atom over graphene with a vacancy were studied using first-principles calculations.

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First-principles study of electronic and diffusion properties of intrinsic defects in 4H-SiC

Journal of Applied Physics ◽

10.1063/1.5140692 ◽

2020 ◽

Vol 127 (8) ◽

pp. 085702 ◽

Cited By ~ 4

Author(s):

Xiaolan Yan ◽

Pei Li ◽

Lei Kang ◽

Su-Huai Wei ◽

Bing Huang

Keyword(s):

First Principles ◽

Intrinsic Defects ◽

First Principles Study ◽

And Diffusion ◽

Diffusion Properties

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