Electronic, magnetic properties of transition metal doped Tl 2 S: First-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2017.07.018 ◽

2017 ◽

Vol 425 ◽

pp. 393-399 ◽

Author(s):

Nahong Song ◽

Yusheng Wang ◽

Weiyang Yu ◽

Liying Zhang ◽

Yuye Yang ◽

...

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

First Principles ◽

First Principles Study ◽

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First principles study of the electronic structures and magnetic properties of transition metal-doped cubic indium nitride

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2014.01.037 ◽

2014 ◽

Vol 21 ◽

pp. 66-73 ◽

Author(s):

F. Dahmane ◽

A. Tadjer ◽

B. Doumi ◽

D. Mesri ◽

H. Aourag ◽

...

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

First Principles ◽

Electronic Structures ◽

Indium Nitride ◽

First Principles Study ◽

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First-principles study of the electronic structures and magnetic properties of 3d transition metal-doped anatase TiO2

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/20/12/125207 ◽

2008 ◽

Vol 20 (12) ◽

pp. 125207 ◽

Author(s):

Haowei Peng ◽

Jingbo Li ◽

Shu-Shen Li ◽

Jian-Bai Xia

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

First Principles ◽

Electronic Structures ◽

Anatase Tio2 ◽

First Principles Study ◽

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Structural, electronic, and magnetic properties of 3d transition metal doped GaN nanosheet: A first-principles study

International Journal of Quantum Chemistry ◽

10.1002/qua.25118 ◽

2016 ◽

Vol 116 (13) ◽

pp. 1000-1005 ◽

Author(s):

Guo-Xiang Chen ◽

Dou-Dou Wang ◽

Jun-Qing Wen ◽

A-Ping Yang ◽

Jian-Min Zhang

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

First Principles ◽

Electronic And Magnetic Properties ◽

First Principles Study ◽

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First-principles study of structural, electronic and magnetic properties of transition metal doped Sc2CF2 MXene

Applied Surface Science ◽

10.1016/j.apsusc.2021.152360 ◽

2022 ◽

pp. 152360

Author(s):

Rui-Zhou Zhang ◽

Xing-Hao Cui ◽

Hong-Ling Cui ◽

Xiao-Hong Li

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

First Principles ◽

Electronic And Magnetic Properties ◽

First Principles Study ◽

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First-principles study of the transition metal-doped iron-based superconductor AFe2As2 (A = Ba, Sr)

Journal of Materials Science ◽

10.1007/s10853-021-06342-x ◽

2021 ◽

Author(s):

Li Li ◽

Jiajun Wang ◽

Yao Liang ◽

Yan Cui ◽

Hualong Tao ◽

...

Keyword(s):

Transition Metal ◽

First Principles ◽

First Principles Study ◽

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Oxygen-evolution reactions (OER) on transition-metal-doped Fe3Co(PO4)4 iron-phosphate surfaces: a first-principles study

Catalysis Science & Technology ◽

10.1039/d1cy00302j ◽

2021 ◽

Author(s):

Yogeshwaran Krishnan ◽

Sateesh Bandaru ◽

Niall J. English

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Oxygen Evolution ◽

First Principles ◽

Density Functional ◽

Iron Phosphate ◽

Functional Theory ◽

First Principles Study ◽

Metal Doped ◽

Catalyst Surfaces

A series of transition-metal-doped Fe1−xMxCo(PO4)4(010) and Fe3Co1−xMx(PO4)4(010) electro-catalyst surfaces (with M = Mn, Os, Ru, Rh and Ir) have been modelled via density-functional theory (DFT) to gauge their oxygen-evolution reactions (OER).

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Structural, electronic and magnetic properties of 5d transition metal mediated benzene adsorption on graphene: A first-principles study

Synthetic Metals ◽

10.1016/j.synthmet.2015.07.036 ◽

2015 ◽

Vol 209 ◽

pp. 225-231 ◽

Author(s):

Li-Hua Qu ◽

Jian-Min Zhang ◽

Ke-Wei Xu

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

First Principles ◽

Benzene Adsorption ◽

Electronic And Magnetic Properties ◽

First Principles Study

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Magnetism in transition-metal-doped ZnO: A first-principles study

Journal of Applied Physics ◽

10.1063/1.4739450 ◽

2012 ◽

Vol 112 (2) ◽

pp. 023913 ◽

Author(s):

Gangxu Gu ◽

Gang Xiang ◽

Jia Luo ◽

Hongtao Ren ◽

Mu Lan ◽

...

Keyword(s):

Transition Metal ◽

First Principles ◽

First Principles Study ◽

Doped Zno ◽

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Magnetism in transition-metal-doped germanene: A first-principles study

Computational Materials Science ◽

10.1016/j.commatsci.2016.03.006 ◽

2016 ◽

Vol 118 ◽

pp. 112-116 ◽

Author(s):

Minglei Sun ◽

Qingqiang Ren ◽

Sake Wang ◽

Yajun Zhang ◽

Yanhui Du ◽

...

Keyword(s):

Transition Metal ◽

First Principles ◽

First Principles Study ◽

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Electronic, magnetic properties of 4d series transition metal substituted black phosphorene: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2019.02.239 ◽

2019 ◽

Vol 480 ◽

pp. 802-809 ◽

Author(s):

Yusheng Wang ◽

Nahong Song ◽

Na Dong ◽

Yafeng Zheng ◽

Xiaohui Yang ◽

...

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

First Principles ◽

First Principles Study ◽

Black Phosphorene

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