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OH-terminated two-dimensional transition metal carbides and nitrides as ultralow work function materials

Physical review. B, Condensed matter and materials physics, 2015-08, Vol.92 (7), Article 075411

2015

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Large-gap two-dimensional topological insulator in oxygen functionalized MXene

Physical review. B, Condensed matter and materials physics, 2015-08, Vol.92 (7), Article 075436

2015

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Negatively curved cubic carbon crystals with octahedral symmetry

Carbon (New York), 2014-09, Vol.76, p.266-274

2014

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Topological node-line semimetal in three-dimensional graphene networks

Physical review. B, Condensed matter and materials physics, 2015-07, Vol.92 (4), Article 045108

2015

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Band gap engineering of silicene zigzag nanoribbons with perpendicular electric fields: a theoretical study

Journal of physics. Condensed matter, 2012-11, Vol.24 (45), p.455302-455302

2012

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Atomic packing and diffusion in Fe85Si2B9P4 amorphous alloy analyzed by ab initio molecular dynamics simulation

Journal of applied physics, 2015-05, Vol.117 (17)

2015

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Nano-crystallization and magnetic mechanisms of Fe85Si2B8P4Cu1 amorphous alloy by ab initio molecular dynamics simulation

Journal of applied physics, 2014-05, Vol.115 (17)

2014

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First-principles investigation on structural, electronic, and optical properties of (Cd1-xZnx)3As2

Next materials, 2025-01, Vol.6, p.100320, Article 100320

2025

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Theoretical prediction of two-dimensional functionalized MXene nitrides as topological insulators

Physical review. B, 2017-11, Vol.96 (19), Article 195414

2017

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Electronic Structures of Group III–V Element Haeckelite Compounds: A Novel Family of Semiconductors, Dirac Semimetals, and Topological Insulators

Advanced functional materials, 2022-05, Vol.32 (20), p.n/a

2022

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Structural and Magnetic Study of Fe76Si9B10P5 Metallic Glass by First Principle Simulation

IEEE transactions on magnetics, 2014-04, Vol.50 (4)

2014

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Magnetic Influence of Alloying Elements in Fe-Rich Amorphous Alloys Studied by Ab Initio Molecular Dynamics Simulations

IEEE transactions on magnetics, 2015-11, Vol.51 (11), p.1-4

2015

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A theoretical investigation of quantum spin Hall state in ordered M′ 2 M″ 2 C 3 MXenes (M′ = V, Nb, Ta and M″ = Ti, Zr, Hf)

Journal of physics. Condensed matter, 2021-08, Vol.33 (31), p.315501

2021

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A theoretical investigation of quantum spin Hall state in ordered M′2M″2C3 MXenes (M′ = V, Nb, Ta and M″ = Ti, Zr, Hf)

Journal of physics. Condensed matter, 2021-06, Vol.33 (31)

2021

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Half-metallicity modulation of hybrid BN-C nanotubes by external electric fields: a first-principles study

The Journal of chemical physics, 2014-06, Vol.140 (23), p.234702-234702

2014

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Structural and Magnetic Study of Metallic Glass by First Principle Simulation

IEEE transactions on magnetics, 2014-04, Vol.50 (4), p.1-4

2014

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High-pressure phases of hydrogen cyanide: formation of hydrogenated carbon nitride polymers and layers and their electronic properties

Journal of physics. Condensed matter, 2011-10, Vol.23 (40), p.405403-12

2011

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Single adatom dynamics at monatomic steps of free-standing few-layer reduced graphene

Scientific reports, 2014-08, Vol.4 (1), p.6037-6037, Article 6037

2014

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A theoretical investigation of quantum spin Hall state in ordered M'2M″2C3MXenes (M'=V, Nb, Ta and M″=Ti, Zr, Hf)

Journal of physics. Condensed matter, 2021-06, Vol.33 (31)

2021

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A TiSe monolayer as a superior anode for applications of Li/Na/K-ion batteries

Physical chemistry chemical physics : PCCP, 2023-09, Vol.25 (36), p.24625-24635

2023

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Nearly free electron states in MXenes

Physical review. B, 2016-05, Vol.93 (20), Article 205125

2016

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A theoretical study of high-performance β-In2Se3 monolayer as the anode material for alkali-metal (Li/Na/K)-ion batteries

Journal of materials science, 2023-05, Vol.58 (18), p.7660-7672

2023

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A theoretical study of high-performance [beta]-In.sub.2Se.sub.3 monolayer as the anode material for alkali-metal -ion batteries

Journal of materials science, 2023-05, Vol.58 (18), p.7660

2023

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A theoretical study of high-performance [beta]-In.sub.2Se.sub.3 monolayer as the anode material for alkali-metal

Journal of materials science, 2023-05, Vol.58 (18), p.7660

2023

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A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states

Carbon (New York), 2021-08, Vol.181, p.370-378

2021

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OH-terminated two-dimensional transition metal carbides and nitrides as ultralow work function materials

Large-gap two-dimensional topological insulator in oxygen functionalized MXene

Negatively curved cubic carbon crystals with octahedral symmetry

Topological node-line semimetal in three-dimensional graphene networks

Band gap engineering of silicene zigzag nanoribbons with perpendicular electric fields: a theoretical study

Atomic packing and diffusion in Fe85Si2B9P4 amorphous alloy analyzed by ab initio molecular dynamics simulation

Nano-crystallization and magnetic mechanisms of Fe85Si2B8P4Cu1 amorphous alloy by ab initio molecular dynamics simulation

First-principles investigation on structural, electronic, and optical properties of (Cd1-xZnx)3As2

Theoretical prediction of two-dimensional functionalized MXene nitrides as topological insulators

Electronic Structures of Group III–V Element Haeckelite Compounds: A Novel Family of Semiconductors, Dirac Semimetals, and Topological Insulators

Structural and Magnetic Study of Fe76Si9B10P5 Metallic Glass by First Principle Simulation

Magnetic Influence of Alloying Elements in Fe-Rich Amorphous Alloys Studied by Ab Initio Molecular Dynamics Simulations

A theoretical investigation of quantum spin Hall state in ordered M′ 2 M″ 2 C 3 MXenes (M′ = V, Nb, Ta and M″ = Ti, Zr, Hf)

A theoretical investigation of quantum spin Hall state in ordered M′2M″2C3 MXenes (M′ = V, Nb, Ta and M″ = Ti, Zr, Hf)

Half-metallicity modulation of hybrid BN-C nanotubes by external electric fields: a first-principles study

Structural and Magnetic Study of Metallic Glass by First Principle Simulation

High-pressure phases of hydrogen cyanide: formation of hydrogenated carbon nitride polymers and layers and their electronic properties

Single adatom dynamics at monatomic steps of free-standing few-layer reduced graphene

A theoretical investigation of quantum spin Hall state in ordered M'2M″2C3MXenes (M'=V, Nb, Ta and M″=Ti, Zr, Hf)

A TiSe monolayer as a superior anode for applications of Li/Na/K-ion batteries

Nearly free electron states in MXenes

A theoretical study of high-performance β-In2Se3 monolayer as the anode material for alkali-metal (Li/Na/K)-ion batteries

A theoretical study of high-performance [beta]-In.sub.2Se.sub.3 monolayer as the anode material for alkali-metal -ion batteries

A theoretical study of high-performance [beta]-In.sub.2Se.sub.3 monolayer as the anode material for alkali-metal

A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states

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