The hydrogen-induced structural stability and promising electronic properties of molybdenum and tungsten dinitride nanosheets: a first-principles study

Transition-metal dinitride nanosheets can be well stabilized by hydrogenation, which brings tunable electronic properties depending on structural conformations.

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First-principles study of structural stability, elastic and electronic properties of ternary rare earth-transition metal—Borides and carbides (RTxZ, R=Sc, Y, and La, T=Pt and Pd, Z=B and C, and x=2, 3, and 4)

Physica B Condensed Matter ◽

10.1016/j.physb.2013.08.031 ◽

2013 ◽

Vol 431 ◽

pp. 58-68 ◽

Cited By ~ 1

Author(s):

Tiankai Yao ◽

Yachun Wang ◽

Hui Li ◽

Jie Lian ◽

Jingwu Zhang ◽

...

Keyword(s):

Rare Earth ◽

Transition Metal ◽

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study ◽

Metal Borides

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First-principles study of mechanical and electronic properties of bent monolayer transition metal dichalcogenides

Physical Review Materials ◽

10.1103/physrevmaterials.3.073601 ◽

2019 ◽

Vol 3 (7) ◽

Cited By ~ 1

Author(s):

Niraj K. Nepal ◽

Liping Yu ◽

Qimin Yan ◽

Adrienn Ruzsinszky

Keyword(s):

Transition Metal ◽

Electronic Properties ◽

First Principles ◽

Transition Metal Dichalcogenides ◽

First Principles Study ◽

Metal Dichalcogenides

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Tuning the magnetic and electronic properties of monolayer VI3 by 3d transition metal doping: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2021.151208 ◽

2022 ◽

Vol 571 ◽

pp. 151208

Author(s):

Charles Sun ◽

Xuan Luo

Keyword(s):

Transition Metal ◽

Electronic Properties ◽

First Principles ◽

Transition Metal Doping ◽

Metal Doping ◽

First Principles Study

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First Principles Study of Structural Stability and Electronic Structure of 4d Transition Metal Carbides TMC2 (TM= Ru, Rh, Pd)

IOSR Journal of Applied Physics ◽

10.9790/4861-17002023841 ◽

2017 ◽

Vol 02 (01) ◽

pp. 38-41

Author(s):

M. Manikandan ◽

M. Santhosh ◽

A. Amudhavalli ◽

R. Rajeswarapalanichamy ◽

K. Iyakutti

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Structural Stability ◽

First Principles ◽

Metal Carbides ◽

Transition Metal Carbides ◽

First Principles Study

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First-principles study on the structural stability and electronic properties of AlN/GaN heterostructure nanoribbons

Superlattices and Microstructures ◽

10.1016/j.spmi.2013.02.001 ◽

2013 ◽

Vol 57 ◽

pp. 37-43 ◽

Cited By ~ 2

Author(s):

Zhengwei Zhang ◽

Youlong Xu

Keyword(s):

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study ◽

Gan Heterostructure

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Investigation of magnetic and electronic properties of transition metal doped Sc2CT2(T = O, OH or F) using a first principles study

Physical Chemistry Chemical Physics ◽

10.1039/c6cp00138f ◽

2016 ◽

Vol 18 (18) ◽

pp. 12914-12919 ◽

Cited By ~ 36

Author(s):

Jianhui Yang ◽

Xuepiao Luo ◽

Shaozheng Zhang ◽

Liang Chen

Keyword(s):

Transition Metal ◽

Electronic Properties ◽

First Principles ◽

Two Dimensional ◽

Spin Electronics ◽

First Principles Study ◽

Two Dimensional Materials ◽

Metal Doped ◽

Mn Doped

Cr- and Mn-doped Sc2CT2(T = OH, O, or F) systems are magnetic, which are promising two-dimensional materials in spin electronics applications.

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First-principles study of structural stabilities, elastic and electronic properties of transition metal monocarbides (TMCs) and mononitrides (TMNs)

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2013.08.020 ◽

2013 ◽

Vol 143 (1) ◽

pp. 93-108 ◽

Cited By ~ 18

Author(s):

H. Rached ◽

D. Rached ◽

S. Benalia ◽

A.H. Reshak ◽

M. Rabah ◽

...

Keyword(s):

Transition Metal ◽

Electronic Properties ◽

First Principles ◽

First Principles Study

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First-principles study of elastic and electronic properties of several ternary transition-metal carbides

Acta Physica Sinica ◽

10.7498/aps.59.4919 ◽

2010 ◽

Vol 59 (7) ◽

pp. 4919

Author(s):

Yang Tian-Xing ◽

Cheng Qiang ◽

Xu Hong-Bin ◽

Wang Yuan-Xu

Keyword(s):

Transition Metal ◽

Electronic Properties ◽

First Principles ◽

Metal Carbides ◽

Transition Metal Carbides ◽

First Principles Study

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Structural stability and electronic properties of the new superconductor (Ca4Al2O6 −x)(Fe2As2) from first-principles study

Superconductor Science and Technology ◽

10.1088/0953-2048/24/10/105014 ◽

2011 ◽

Vol 24 (10) ◽

pp. 105014 ◽

Cited By ~ 3

Author(s):

Yun-Li Zhang ◽

Ji-Hua Zhang ◽

Xiang-Ming Tao ◽

Ming-Qiu Tan

Keyword(s):

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study ◽

New Superconductor

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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 ◽

Cited By ~ 20

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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