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

All sp2 hybridization BN polymorphs with wide bandgap

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

Two novel carbon allotropes with tetragonal symmetry: First-principles calculations

(2022) Mengjiang Xing et al.   JOURNAL OF SOLID STATE CHEMISTRY

Si–C alloys with direct band gaps for photoelectric application

(2022) Qingyang Fan et al.   VACUUM

P213 BN: a novel large-cell boron nitride polymorph

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

Two orthorhombic superhard carbon allotropes: C16 and C24

(2021) Qingyang Fan et al.   DIAMOND AND RELATED MATERIALS

Novel carbon-rich B–C compounds in orthorhombic phase: First-principles calculations

(2021) Liping Qiao et al.   JOURNAL OF SOLID STATE CHEMISTRY

An orthorhombic superhard carbon allotrope: Pmma C24

(2021) Qingyang Fan et al.   JOURNAL OF SOLID STATE CHEMISTRY

A porous nanotube network structure of metallic carbon

(2021) Mengjiang Xing et al.   Results in Physics

Designing sp3 networks of two novel carbon allotropes in the P4/mmm phase

(2021) Mengjiang Xing et al.   CHINESE JOURNAL OF PHYSICS

Novel BCN2 and CN compounds in C2/m phase: First-principle calculations

(2021) Yonghong Liu et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

BC2O in C2/m phase: Light element compound with direct band gaps

(2021) Mengjiang Xing et al.   JOURNAL OF SOLID STATE CHEMISTRY

A novel BN polymorph with ductile manner

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

Physical properties of group 14 elements in P2/m phase

(2021) Qingyang Fan et al.   JOURNAL OF SOLID STATE CHEMISTRY

Theoretical Investigations of a BN Polymorph with sp2 + sp3 Hybridizations

(2021) Xinhai Yu et al.   Crystals

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

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

Two novel superhard structures: Monoclinic BC3N

(2020) Shuaiqi Li et al.   PHYSICA B-CONDENSED MATTER

Physical properties of a novel microporous carbon material

(2020) Qingyang Fan et al.   DIAMOND AND RELATED MATERIALS

Two novel superhard monoclinic phase of B–C–N compounds

(2020) Xiaozhen Li et al.   JOURNAL OF SOLID STATE CHEMISTRY

Stability, mechanical, anisotropic and electronic properties of oP8 carbon: A superhard carbon allotrope in orthorhombic phase

(2020) Qingyang Fan et al.   JOURNAL OF SOLID STATE CHEMISTRY

Surperhard Monoclinic BC6N Allotropes: First-principles Calculations

(2019) Nian-Rui Qu et al.   Chinese Physics B

First principles studies of superhard BC 6 N phases with unexpected 1D metallicity

(2018) Yufei Gao et al.   COMPUTATIONAL MATERIALS SCIENCE

Effects of hydrostatic pressure and biaxial strains on the elastic and electronic properties of t-C8B2N2

(2018) Haiyan Zhu et al.   JOURNAL OF APPLIED PHYSICS

Density-functional-studying of oP8–, tI16–, and tP4–B2CO physical properties under pressure

(2018) Liping Qiao et al.   JOURNAL OF SOLID STATE CHEMISTRY

Novel carbon-rich nitride C3N: A superhard phase in monoclinic symmetry

(2018) Xiaozhen Li et al.   COMPUTATIONAL MATERIALS SCIENCE

Novel superhard B–C–O phases predicted from first principles

(2016) Shengnan Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Elastic and electronic properties of Imm2- and I4¯m2-BCN

(2015) Qingyang Fan et al.   COMPUTATIONAL MATERIALS SCIENCE

Structural, mechanical, and electronic properties of P3m1-BCN

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

Elastic and electronic properties of Pbca-BN: First-principles calculations

(2014) Qingyang Fan et al.   COMPUTATIONAL MATERIALS SCIENCE

Porous Boron Nitride with Tunable Pore Size

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

First-principles structural design of superhard materials

(2013) Xinxin Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Superhard B2C2N2 compounds from first-principles calculations

(2011) Luo Xiaoguang et al.   JOURNAL OF APPLIED PHYSICS

ElAM: A computer program for the analysis and representation of anisotropic elastic properties

(2010) Arnaud Marmier et al.   COMPUTER PHYSICS COMMUNICATIONS

First-principles study of the structural, electronic, vibrational, and elastic properties of orthorhombic NiSi

(2009) D. Connétable et al.   PHYSICAL REVIEW B