First-Principles Study of Alkali Metal Atoms Adsorption on Pristine and p-Type Graphene

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2016.5401 ◽

2016 ◽

Vol 13 (8) ◽

pp. 5187-5193

Author(s):

Shan Yin ◽

Liyuan Wu ◽

Hai He ◽

Chunfang Zhang ◽

Mingyang Zhao ◽

...

Keyword(s):

Alkali Metal ◽

First Principles ◽

First Principles Study ◽

Metal Atoms ◽

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Adsorption of alkali metal atoms on germanene: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2014.06.138 ◽

2014 ◽

Vol 314 ◽

pp. 15-20 ◽

Author(s):

Qing Pang ◽

Chun-ling Zhang ◽

Long Li ◽

Zhi-qiang Fu ◽

Xiu-mei Wei ◽

...

Keyword(s):

Alkali Metal ◽

First Principles ◽

First Principles Study ◽

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Monolayer GaN functionalized with alkali metal and alkaline earth metal atoms: A first-principles study

Superlattices and Microstructures ◽

10.1016/j.spmi.2019.05.011 ◽

2019 ◽

Vol 130 ◽

pp. 428-436 ◽

Author(s):

Keat Hoe Yeoh ◽

Tiem Leong Yoon ◽

Thong Leng Lim ◽

Rusi ◽

Duu Sheng Ong

Keyword(s):

Alkali Metal ◽

First Principles ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

First Principles Study ◽

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First-principles study on saturated adsorption of alkali metal atoms on silicene

Acta Physica Sinica ◽

10.7498/aps.64.013101 ◽

2015 ◽

Vol 64 (1) ◽

pp. 013101

Author(s):

Huang Yan-Ping ◽

Yuan Jian-Mei ◽

Guo Gang ◽

Mao Yu-Liang

Keyword(s):

Alkali Metal ◽

First Principles ◽

First Principles Study ◽

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A first principles approach to the interactions of alkali metal atoms with carbon quantum dots

Computational Materials Science ◽

10.1016/j.commatsci.2021.110614 ◽

2021 ◽

Vol 197 ◽

pp. 110614

Author(s):

J.R.S. Politi ◽

J.B.L. Martins ◽

B.J.C. Cabral

Keyword(s):

Quantum Dots ◽

Alkali Metal ◽

First Principles ◽

Carbon Quantum Dots ◽

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First-principles study of electronic structure and ground-state properties of alkali-metal sulfides – Li2S, Na2S, K2S and Rb2S

physica status solidi (b) ◽

10.1002/pssb.200642506 ◽

2007 ◽

Vol 244 (4) ◽

pp. 1337-1346 ◽

Author(s):

R. D. Eithiraj ◽

G. Jaiganesh ◽

G. Kalpana ◽

M. Rajagopalan

Keyword(s):

Electronic Structure ◽

Alkali Metal ◽

Ground State ◽

First Principles ◽

Metal Sulfides ◽

First Principles Study ◽

Ground State Properties

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First-Principles Study of the Effect of Doped Metal Atoms Pd, Mg and Ti on Tritium Release from Li2O (111) Surface

Computational Materials Science ◽

10.1016/j.commatsci.2020.110151 ◽

2020 ◽

pp. 110151

Author(s):

Jun Zhu ◽

Yiyu Fang ◽

Huagang Xiao ◽

Xiaojun Chen ◽

Tao Gao ◽

...

Keyword(s):

First Principles ◽

First Principles Study ◽

Metal Atoms ◽

Tritium Release

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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 ◽

Author(s):

Yoshihiro Asayama ◽

Masaaki Hiyama ◽

Takashi Nakayama

Keyword(s):

Electric Field ◽

First Principles ◽

Metal Insulator ◽

First Principles Study ◽

Metal Atoms ◽

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First principles study of the voltage-dependent conductance properties of n-type and p-type graphene–metal contacts

Computational Materials Science ◽

10.1016/j.commatsci.2013.09.015 ◽

2014 ◽

Vol 81 ◽

pp. 607-611 ◽

Author(s):

Serhan Yamacli

Keyword(s):

First Principles ◽

Metal Contacts ◽

First Principles Study ◽

Voltage Dependent ◽

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Effects and mechanism of (Be/Mg/Ca) doping and point defects (VZn, Hi) on the p-type conductivity of ZnO: A first-principles study

Solid State Communications ◽

10.1016/j.ssc.2022.114653 ◽

2022 ◽

pp. 114653

Author(s):

Mude Qi ◽

Qingyu Hou ◽

Yong Li ◽

Yulan Gu ◽

Airong Yang

Keyword(s):

Point Defects ◽

First Principles ◽

Type Conductivity ◽

Ca Doping ◽

First Principles Study ◽

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First-Principles Study on Alkali Metal-Graphite Intercalation Compounds

ECS Meeting Abstracts ◽

10.1149/ma2012-02/15/1854 ◽

2012 ◽

Keyword(s):

Alkali Metal ◽

First Principles ◽

Intercalation Compounds ◽

Graphite Intercalation Compounds ◽

First Principles Study ◽

Graphite Intercalation

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