Design and investigated a novel BN polymorph in orthorhombic phase

The Physical Properties of a Novel Carbon Allotrope in Tetragonal Symmetry

(2023) Mengjiang Xing et al.   JOURNAL OF ELECTRONIC MATERIALS

Four superhard tetragonal carbon allotropes: First-principles calculations

(2023) Heng Liu et al.   DIAMOND AND RELATED MATERIALS

Exploration and investigation of stable novel Al2O3 by high-throughput screening and density functional theory

(2023) Ruida Zhao et al.   Journal of Materials Research and Technology-JMR&T

All sp2 hybridization BN polymorphs with wide bandgap

(2022) Qingyang Fan et al.   JOURNAL OF APPLIED PHYSICS

A novel superhard boron nitride polymorph with monoclinic symmetry

(2022) Qingyang Fan et al.   COMMUNICATIONS IN THEORETICAL PHYSICS

Two novel large-cell boron nitride polymorphs

(2022) Qingyang Fan et al.   DIAMOND AND RELATED MATERIALS

Si–C alloys with direct band gaps for photoelectric application

(2022) Qingyang Fan et al.   VACUUM

A New BCN Compound with Monoclinic Symmetry: First-Principle Calculations

(2022) Zhenyang Ma et al.   Materials

First principle calculation of thermal conversion properties of W-Al2O3 based solar selective absorbing coating

(2022) Junjie Zhou et al.   COMPUTATIONAL MATERIALS SCIENCE

Tower carbon: a new large-cell carbon allotrope

(2022) Qingyang Fan et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Two new BN polymorphs with wide-bandgap

(2022) Qingyang Fan et al.   DIAMOND AND RELATED MATERIALS

An orthorhombic carbon allotrope with a quasi-direct band gap and superhard

(2022) Mengjiang Xing et al.   DIAMOND AND RELATED MATERIALS

Designing two sp3 hybridization polymorphs of BN: A comprehensive study

(2022) Liping Qiao et al.   DIAMOND AND RELATED MATERIALS

Group 14 elements in the Cmcm phase with a direct band structure for photoelectric application

(2022) Qingyang Fan et al.   PHYSICA SCRIPTA

Structural, elastic, electronic, and anisotropic properties of Pbca-SiC and Pbcn-SiC

(2021) Linchun Kong et al.   AIP Advances

P213 BN: a novel large-cell boron nitride polymorph

(2021) Qingyang Fan et al.   COMMUNICATIONS IN THEORETICAL PHYSICS

A novel BN polymorph with ductile manner

(2021) Xinhai Yu et al.   JOURNAL OF SOLID STATE CHEMISTRY

A Novel BN Polymorph in P 4/ mbm Phase with a (4,4) Nanotube

(2021) Mo Zhao et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Piezoelectric properties of Ga2O3: a first-principle study

(2020) San-Dong Guo et al.   EUROPEAN PHYSICAL JOURNAL B

Physical properties of a novel phase of boron nitride and its potential applications

(2020) Zhenyang Ma et al.   MATERIALS CHEMISTRY AND PHYSICS

Physical Properties of XN (X = B, Al, Ga, In) in the Pm−3n phase: First-Principles Calculations

(2020) Qidong Zhang et al.   Materials

Novel III-V Nitride Polymorphs in the P42/mnm and Pbca Phases

(2020) Qingyang Fan et al.   Materials

Physical properties of B4N4-I and B4N4-II: First-principles study

(2019) Zhenyang Ma et al.   Chinese Physics B

Physical properties of Ima2-BN under pressure: First principles calculations

(2019) Zhenyang Ma et al.   CHINESE JOURNAL OF PHYSICS

Superhard conductive orthorhombic carbon polymorphs

(2019) Lingyu Liu et al.   CARBON

Orthorhombic C14 carbon: A novel superhard sp3 carbon allotrope

(2019) Xigui Yang et al.   CARBON

First-principle calculations of electronic structures and polar properties of (κ,ε)-Ga2O3

(2018) Juyeong Kim et al.   Applied Physics Express

New metallic carbon: Three dimensionally carbon allotropes comprising ultrathin diamond nanostripes

(2018) Yinqiao Liu et al.   CARBON

Hard three-dimensional BN framework with one-dimensional metallicity

(2018) Mei Xiong et al.   JOURNAL OF ALLOYS AND COMPOUNDS

III-Nitride Polymorphs: XN (X=Al, Ga, In) in the Pnma phase

(2018) Qingyang Fan et al.   CHEMISTRY-A EUROPEAN JOURNAL

Complex Low Energy Tetrahedral Polymorphs of Group IV Elements from First Principles

(2018) Chaoyu He et al.   PHYSICAL REVIEW LETTERS

Pressure-induced boron nitride nanotube derivatives: 3D metastable allotropes

(2017) Mei Xiong et al.   JOURNAL OF APPLIED PHYSICS

Pnma-BN: Another Boron Nitride Polymorph with Interesting Physical Properties

(2016) Zhenyang Ma et al.   Nanomaterials

Elucidating the high-k insulator α-Al2O3 direct/indirect energy band gap type through density functional theory computations

(2015) R.C.R. Santos et al.   CHEMICAL PHYSICS LETTERS

Structural, mechanical, and electronic properties of P3m1-BCN

(2015) Qingyang Fan et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Porous Boron Nitride with Tunable Pore Size

(2014) Jun Dai et al.   Journal of Physical Chemistry Letters

Ab initio investigation of a new boron nitride allotrope

(2014) A. A. Kuzubov et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Necessary and sufficient elastic stability conditions in various crystal systems

(2014) Félix Mouhat et al.   PHYSICAL REVIEW B

Polycrystalline boron nitride constructed from hexagonal boron nitride

(2014) N. Xu et al.   RSC Advances

Unusual Metallic Microporous Boron Nitride Networks

(2013) Jun Dai et al.   Journal of Physical Chemistry Letters

Three-Dimensional Metallic Boron Nitride

(2013) Shunhong Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First-principles study of O-BN: A sp3-bonding boron nitride allotrope

(2012) Quan Huang et al.   JOURNAL OF APPLIED PHYSICS

Modeling hardness of polycrystalline materials and bulk metallic glasses

(2011) Xing-Qiu Chen et al.   INTERMETALLICS

Structure, bonding, vibration and ideal strength of primitive-centered tetragonal boron nitride

(2011) Zhiping Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS