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Phonon-mediated superconductivity in Mg intercalated bilayer borophenes

Physical chemistry chemical physics : PCCP, 2017-11, Vol.19 (43), p.29237-29243

2017

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Motif based high-throughput structure prediction of superconducting monolayer titanium boride

Physical chemistry chemical physics : PCCP, 2020-07, Vol.22 (28), p.16236-16243

2020

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An electron compensation mechanism for the polymorphism of boron monolayers

Nanoscale, 2018-01, Vol.10 (28), p.13410-13416

2018

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Theoretical investigations on diamondoids (CnHm, n = 10–41): Nomenclature, structural stabilities, and gap distributions

The Journal of chemical physics, 2018-01, Vol.148 (1), p.014306-014306

2018

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An extended cluster expansion for ground states of heterofullerenes

Scientific reports, 2017-11, Vol.7 (1), p.16211-9, Article 16211

2017

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Two-Dimensional Anti-Van’t Hoff/Le Bel Array AlB 6 with High Stability, Unique Motif, Triple Dirac Cones, and Superconductivity

Journal of the American Chemical Society, 2019-02, Vol.141 (8), p.3630-3640

2019

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Insights into the unusual semiconducting behavior in low-dimensional boron

Nanoscale, 2019-04, Vol.11 (16), p.7866-7874

2019

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Two-Dimensional Semiconducting Boron Monolayers

Journal of the American Chemical Society, 2017-12, Vol.139 (48), p.17233-17236

2017

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Biased screening for multi-component materials with Structures of Alloy Generation And Recognition (SAGAR)

Computational materials science, 2021-06, Vol.193, p.110386, Article 110386

2021

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Temperature effect on the structural stabilities and electronic properties of X22H28 (X=C, Si and Ge) nanocrystals: A first-principles study

AIP advances, 2016-12, Vol.6 (12), p.125112-125112-8

2016

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Role of surface functional groups to superconductivity in Nb2C-MXene: Experiments and density functional theory calculations

Surfaces and interfaces, 2022-04, Vol.29, p.101711, Article 101711

2022

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Controllable hydrogen adsorption and desorption by strain modulation on Ti decorated defective graphene

International journal of hydrogen energy, 2015-09, Vol.40 (36), p.12063-12071

2015

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Atom Classification Model for Total Energy Evaluation of Two-Dimensional Multicomponent Materials

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-06, Vol.124 (22), p.4506-4511

2020

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Room-Temperature Magnetic Phase Transition in an Electrically Tuned van der Waals Ferromagnet

Physical review letters, 2023-10, Vol.131 (16), p.166703-166703, Article 166703

2023

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Doping induced charge density wave in monolayer TiS2 and phonon-mediated superconductivity

Journal of applied physics, 2020-01, Vol.127 (4)

2020

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Theoretical investigations on stable structures of C60-nNn (n=2–12): Symmetry, model interaction, and global optimization

Carbon (New York), 2019-12, Vol.154, p.140-149

2019

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Publisher Correction: An extended cluster expansion for ground states of heterofullerenes

Scientific reports, 2019-10, Vol.9 (1), p.1-1, Article 14775

2019

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Understanding the stable boron clusters: A bond model and first-principles calculations based on high-throughput screening

The Journal of chemical physics, 2015-06, Vol.142 (21), p.214307-214307

2015

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High-coverage stable structures of 3d transition metal intercalated bilayer graphene

Physical chemistry chemical physics : PCCP, 2016-06, Vol.18 (21), p.14244-14251

2016

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Theoretical investigations of the interaction between transition-metal and benzoquinone: Metal dispersion and hydrogen storage

International journal of hydrogen energy, 2016-07, Vol.41 (26), p.11275-11283

2016

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Transition-metal dispersion on carbon-doped boron nitride nanostructures: Applications for high-capacity hydrogen storage

Physical review. B, Condensed matter and materials physics, 2012-07, Vol.86 (4), Article 045459

2012

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Gap maximum of graphene nanoflakes: a first-principles study combined with the Monte Carlo tree search method

RSC advances, 2017, Vol.7 (60), p.37881-37886

2017

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Monte-Carlo tree search for stable structures of planar clusters

Wuli xuebao, 2017-08, Vol.66 (16), p.163601

2017

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Two-Dimensional Anti-Van’t Hoff/Le Bel Array AlB6 with High Stability, Unique Motif, Triple Dirac Cones, and Superconductivity

Journal of the American Chemical Society, 2019-02, Vol.141 (8), p.3630-3640

2019

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Structural, magnetic, and electronic diversity of VTe2 monolayer

Physics letters. A, 2022-09, Vol.446, p.128260, Article 128260

2022

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Phonon-mediated superconductivity in Mg intercalated bilayer borophenes

Motif based high-throughput structure prediction of superconducting monolayer titanium boride

An electron compensation mechanism for the polymorphism of boron monolayers

Theoretical investigations on diamondoids (CnHm, n = 10–41): Nomenclature, structural stabilities, and gap distributions

An extended cluster expansion for ground states of heterofullerenes

Two-Dimensional Anti-Van’t Hoff/Le Bel Array AlB 6 with High Stability, Unique Motif, Triple Dirac Cones, and Superconductivity

Insights into the unusual semiconducting behavior in low-dimensional boron

Two-Dimensional Semiconducting Boron Monolayers

Biased screening for multi-component materials with Structures of Alloy Generation And Recognition (SAGAR)

Temperature effect on the structural stabilities and electronic properties of X22H28 (X=C, Si and Ge) nanocrystals: A first-principles study

Role of surface functional groups to superconductivity in Nb2C-MXene: Experiments and density functional theory calculations

Controllable hydrogen adsorption and desorption by strain modulation on Ti decorated defective graphene

Atom Classification Model for Total Energy Evaluation of Two-Dimensional Multicomponent Materials

Room-Temperature Magnetic Phase Transition in an Electrically Tuned van der Waals Ferromagnet

Doping induced charge density wave in monolayer TiS2 and phonon-mediated superconductivity

Theoretical investigations on stable structures of C60-nNn (n=2–12): Symmetry, model interaction, and global optimization

Publisher Correction: An extended cluster expansion for ground states of heterofullerenes

Understanding the stable boron clusters: A bond model and first-principles calculations based on high-throughput screening

High-coverage stable structures of 3d transition metal intercalated bilayer graphene

Theoretical investigations of the interaction between transition-metal and benzoquinone: Metal dispersion and hydrogen storage

Transition-metal dispersion on carbon-doped boron nitride nanostructures: Applications for high-capacity hydrogen storage

Gap maximum of graphene nanoflakes: a first-principles study combined with the Monte Carlo tree search method

Monte-Carlo tree search for stable structures of planar clusters

Two-Dimensional Anti-Van’t Hoff/Le Bel Array AlB6 with High Stability, Unique Motif, Triple Dirac Cones, and Superconductivity

Structural, magnetic, and electronic diversity of VTe2 monolayer

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