First-principles study of the heavy metal atoms X (X=Au, Hg, Tl or Pb) doped monolayer WS 2

Superlattices and Microstructures ◽

10.1016/j.spmi.2017.09.029 ◽

2017 ◽

Vol 112 ◽

pp. 224-229

Author(s):

Ling-Yun Xie ◽

Jian-Min Zhang

Keyword(s):

Heavy Metal ◽

First Principles ◽

First Principles Study ◽

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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 on superconductive properties of compressive strain-engineered cryogenic superconducting heavy metal lead (Pb)

Communications in Theoretical Physics ◽

10.1088/1572-9494/abda1d ◽

2021 ◽

Vol 73 (3) ◽

pp. 035703

Author(s):

Qing-Yuan Chen

Keyword(s):

Heavy Metal ◽

First Principles ◽

Compressive Strain ◽

First Principles Study

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A first-principles study on zigzag phosphorene nanoribbons terminated by transition metal atoms

Chinese Physics B ◽

10.1088/1674-1056/abc0e1 ◽

2020 ◽

Author(s):

Shuai Yang ◽

Zhiyong Wang ◽

Xueqiong Dai ◽

Jianrong Xiao ◽

Mengqiu Long

Keyword(s):

Transition Metal ◽

First Principles ◽

First Principles Study ◽

Metal Atoms ◽

Transition Metal Atoms

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Adsorption of alkali and alkaline-earth metal atoms on stanene: A first-principles study

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2016.06.014 ◽

2016 ◽

Vol 180 ◽

pp. 326-331 ◽

Author(s):

Yelda Kadioglu ◽

Fatih Ersan ◽

Gökhan Gökoğlu ◽

Olcay Üzengi Aktürk ◽

Ethem Aktürk

Keyword(s):

First Principles ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

First Principles Study ◽

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Structural stability and O2 dissociation on nitrogen-doped graphene with transition metal atoms embedded: A first-principles study

AIP Advances ◽

10.1063/1.4922841 ◽

2015 ◽

Vol 5 (6) ◽

pp. 067136 ◽

Author(s):

Mingye Yang ◽

Lu Wang ◽

Min Li ◽

Tingjun Hou ◽

Youyong Li

Keyword(s):

Transition Metal ◽

Structural Stability ◽

First Principles ◽

Nitrogen Doped ◽

First Principles Study ◽

Metal Atoms ◽

Transition Metal Atoms ◽

Nitrogen Doped Graphene ◽

Doped Graphene ◽

O2 Dissociation

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Adsorption of 3d transition metal atoms on graphene-like gallium nitride monolayer: A first-principles study

Superlattices and Microstructures ◽

10.1016/j.spmi.2018.01.023 ◽

2018 ◽

Vol 115 ◽

pp. 108-115 ◽

Author(s):

Guo-Xiang Chen ◽

Han-Fei Li ◽

Xu Yang ◽

Jun-Qing Wen ◽

Qing Pang ◽

...

Keyword(s):

Gallium Nitride ◽

Transition Metal ◽

First Principles ◽

First Principles Study ◽

Metal Atoms ◽

Transition Metal Atoms

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First‐Principles Study of 3d Transition Metal Atoms Doped Ni 13 Cluster as Efficient Electrocatalyst for Nitrogen Reduction Reaction

Advanced Theory and Simulations ◽

10.1002/adts.202100353 ◽

2021 ◽

pp. 2100353

Author(s):

Wei Song ◽

Menghui Xi ◽

Yongliang Guo ◽

Chaozheng He ◽

Ling Fu

Keyword(s):

Transition Metal ◽

First Principles ◽

Reduction Reaction ◽

Nitrogen Reduction ◽

First Principles Study ◽

Metal Atoms ◽

Transition Metal Atoms

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Electronic structures and magnetic properties of the transition-metal atoms (Mn, Fe, Co and Ni) doped WS2: A first-principles study

Superlattices and Microstructures ◽

10.1016/j.spmi.2016.08.015 ◽

2016 ◽

Vol 98 ◽

pp. 148-157 ◽

Author(s):

Ling-Yun Xie ◽

Jian-Min Zhang

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

First Principles ◽

Electronic Structures ◽

First Principles Study ◽

Metal Atoms ◽

Transition Metal Atoms

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Interfacial properties of NM/CeO2(111) (NM = noble metal atoms or clusters of Pd, Pt and Rh): a first principles study

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/22/47/475003 ◽

2010 ◽

Vol 22 (47) ◽

pp. 475003 ◽

Author(s):

Zhansheng Lu ◽

Zongxian Yang

Keyword(s):

Noble Metal ◽

First Principles ◽

Interfacial Properties ◽

First Principles Study ◽

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