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A new carbon allotrope: Penta-graphene as a metal-free catalyst for CO oxidation

Carbon (New York), 2017-04, Vol.114, p.465-472

2017

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Electronic and optical properties of hydrogen-terminated biphenylene nanoribbons: a first-principles study

Physical chemistry chemical physics : PCCP, 2021-12, Vol.24 (1), p.357-365

2021

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Electronic and optical properties of novel carbon allotropes

Carbon (New York), 2016-05, Vol.101 (C), p.77-85

2016

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Structural, mechanical, electronic and optical properties of biphenylene hydrogenation: a first-principles study

Physical chemistry chemical physics : PCCP, 2023-09, Vol.25 (36), p.24797-2488

2023

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A new direct band gap Si-Ge allotrope with advanced electronic and optical properties

Physical chemistry chemical physics : PCCP, 2022-07, Vol.24 (26), p.1631-16316

2022

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Strain driven topological phase transitions in atomically thin films of group IV and V elements in the honeycomb structures

New journal of physics, 2014-10, Vol.16 (10), p.105018-10

2014

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A first-principles study of structural, electronic and optical properties of α-Te tubular nanostructures modulated by uniaxial strain

New journal of physics, 2022-05, Vol.24 (5), p.53037

2022

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Influence of Group-IVA Doping on Electronic and Optical Properties of ZnS Monolayer: A First-Principles Study

Nanomaterials (Basel, Switzerland), 2022-11, Vol.12 (21), p.3898

2022

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Bergman-type medium range order in amorphous Zr77Rh23 alloy studied by ab initio molecular dynamics simulations

Journal of alloys and compounds, 2019-06, Vol.790 (C), p.675-682

2019

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Temperature dependence of structural, dynamical, and electronic properties of amorphous Bi2Te3: an ab initio study

New journal of physics, 2019-09, Vol.21 (9), p.093062

2019

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Screening effects on the field enhancement factor of zigzag graphene nanoribbon arrays: a first-principles study

Physical chemistry chemical physics : PCCP, 2018, Vol.2 (21), p.14627-14634

2018

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Novel penta-graphene nanotubes: strain-induced structural and semiconductor-metal transitions

Nanoscale, 2017-12, Vol.9 (48), p.19310-19317

2017

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A first-principles study of the electrically tunable band gap in few-layer penta-graphene

Physical chemistry chemical physics : PCCP, 2018, Vol.2 (26), p.1811-18116

2018

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A first-principles study of strain tuned optical properties in monolayer tellurium

RSC advances, 2019-12, Vol.9 (71), p.4173-4178

2019

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Effect of body defect on mechanical behaviors of Cu nanowire under tension: a molecular dynamics investigation

Journal of materials science, 2017-11, Vol.52 (22), p.13237-13246

2017

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Structural, electronic, and optical properties of α-Te tubular nanostructures: A first-principles study

APL materials, 2019-03, Vol.7 (3), p.031105-031105-7

2019

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Theoretical investigation of methane oxidation reaction over a novel metal-free catalyst biphenylene network

Diamond and related materials, 2022-04, Vol.124, p.108897, Article 108897

2022

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A first-principles study of electronic and optical properties of the tetragonal phase of monolayer ZnS modulated by biaxial strain

RSC advances, 2022-02, Vol.12 (1), p.6166-6173

2022

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Electric Field-Tunable Structural Phase Transitions in Monolayer Tellurium

ACS omega, 2020-07, Vol.5 (29), p.18213-18217

2020

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Investigation of electronic property modulation driven by strain in monolayer tellurium

Chinese journal of physics (Taipei), 2019-12, Vol.62, p.172-178

2019

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A first-principles study of the electronic structure and mechanical and optical properties of CaAlSiN3

Physical chemistry chemical physics : PCCP, 2015-06, Vol.17 (22), p.1565-157

2015

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Exploring the phase change and structure of carbon using a deep learning interatomic potential

Physical chemistry chemical physics : PCCP, 2024-10, Vol.26 (40), p.25936-25945

2024

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Electronic and structural properties of carbon nanotubes modulated by external strain

Journal of applied physics, 2013-06, Vol.113 (24)

Su, Wan-Sheng

2013

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Competitive diamond‐like and endohedral fullerene structures of Si 70

Journal of computational chemistry, 2011-05, Vol.32 (7), p.1271-1278

2011

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The fracture behaviors of monolayer phosphorene with grain boundaries under tension: a molecular dynamics study

Physical chemistry chemical physics : PCCP, 2016-07, Vol.18 (3), p.2562-257

2016

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A new carbon allotrope: Penta-graphene as a metal-free catalyst for CO oxidation

Electronic and optical properties of hydrogen-terminated biphenylene nanoribbons: a first-principles study

Electronic and optical properties of novel carbon allotropes

Structural, mechanical, electronic and optical properties of biphenylene hydrogenation: a first-principles study

A new direct band gap Si-Ge allotrope with advanced electronic and optical properties

Strain driven topological phase transitions in atomically thin films of group IV and V elements in the honeycomb structures

A first-principles study of structural, electronic and optical properties of α-Te tubular nanostructures modulated by uniaxial strain

Influence of Group-IVA Doping on Electronic and Optical Properties of ZnS Monolayer: A First-Principles Study

Bergman-type medium range order in amorphous Zr77Rh23 alloy studied by ab initio molecular dynamics simulations

Temperature dependence of structural, dynamical, and electronic properties of amorphous Bi2Te3: an ab initio study

Screening effects on the field enhancement factor of zigzag graphene nanoribbon arrays: a first-principles study

Novel penta-graphene nanotubes: strain-induced structural and semiconductor-metal transitions

A first-principles study of the electrically tunable band gap in few-layer penta-graphene

A first-principles study of strain tuned optical properties in monolayer tellurium

Effect of body defect on mechanical behaviors of Cu nanowire under tension: a molecular dynamics investigation

Structural, electronic, and optical properties of α-Te tubular nanostructures: A first-principles study

Theoretical investigation of methane oxidation reaction over a novel metal-free catalyst biphenylene network

A first-principles study of electronic and optical properties of the tetragonal phase of monolayer ZnS modulated by biaxial strain

Electric Field-Tunable Structural Phase Transitions in Monolayer Tellurium

Investigation of electronic property modulation driven by strain in monolayer tellurium

A first-principles study of the electronic structure and mechanical and optical properties of CaAlSiN3

Exploring the phase change and structure of carbon using a deep learning interatomic potential

Electronic and structural properties of carbon nanotubes modulated by external strain

Competitive diamond‐like and endohedral fullerene structures of Si 70

The fracture behaviors of monolayer phosphorene with grain boundaries under tension: a molecular dynamics study

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