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

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 carbon allotropes with tetragonal symmetry: First-principles calculations

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

P2221-C8: A novel carbon allotrope denser than diamond

(2022) Mingqing Liao et al.   SCRIPTA MATERIALIA

Three new C N compounds in orthorhombic symmetry: Theoretical investigations

(2022) Yingbo Zhao et al.   DIAMOND AND RELATED MATERIALS

Tower carbon: a new large-cell carbon allotrope

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

A superhard orthorhombic carbon allotrope

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

Group IV element allotropes in the Fmmm phase: First-principles calculations

(2022) Qingyang Fan et al.   COMPUTATIONAL MATERIALS SCIENCE

Three non-metallic carbon materials with comparable electrical conductivity to metals

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

A larger-cell tetragonal carbon allotrope tP176 carbon with superhardness

(2022) Qingyang Fan et al.   MATERIALS LETTERS

sp3-Hybridized superhard trigonal carbon allotropes: A first principle study

(2021) Junru Kou et al.   COMPUTATIONAL MATERIALS SCIENCE

Direct and quasi-direct band gap of novel Si-Ge alloys in P-3m1 phase

(2021) Qingyang Fan et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

High-Throughput Computation of New Carbon Allotropes with Diverse Hybridization and Ultrahigh Hardness

(2021) Mohammed Al-Fahdi et al.   Crystals

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

Carbon allotropes consisting of rings and cubes

(2021) Hua-Jin Hu et al.   DIAMOND AND RELATED MATERIALS

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

Physical properties of group 14 elements in P2/m phase

(2021) Qingyang Fan 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

o-C240: a new sp3-dominated allotrope of carbon

(2020) Adebayo Abayomi Adeleke et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

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

Optical, Electronic Properties and Anisotropy in Mechanical Properties of “X” Type Carbon Allotropes

(2020) Jiao Cheng et al.   Materials

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

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

Designing a sp3 structure of carbon T-C9: First-principles calculations

(2020) Heng Liu et al.   Results in Physics

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

Elastic properties of diamond-like phases based on carbon nanotubes

(2019) Leysan Kh. Rysaeva et al.   DIAMOND AND RELATED MATERIALS

First-principles studies of superhard BC8N structures

(2019) Yufei Gao et al.   JOURNAL OF APPLIED PHYSICS

C568: A new two-dimensional sp2-sp3 hybridized allotrope of carbon

(2019) Babu Ram et al.   CARBON

Orthorhombic C14 carbon: A novel superhard sp3 carbon allotrope

(2019) Xigui Yang et al.   CARBON

Prediction of a novel carbon allotrope from first-principle calculations: A potential superhard material in monoclinic symmetry

(2019) Xiaozhen Li et al.   MATERIALS CHEMISTRY AND PHYSICS

A reinvestigation of a superhard phase Cm-carbon

(2018) Xiaozhen Li et al.   COMPUTATIONAL MATERIALS SCIENCE

Hexagonal BC2N with Remarkably High Hardness

(2018) Lulu Liu et al.   Journal of Physical Chemistry C

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

(2018) Chaoyu He et al.   PHYSICAL REVIEW LETTERS

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

(2018) Xiaozhen Li et al.   COMPUTATIONAL MATERIALS SCIENCE

Pseudo-topotactic conversion of carbon nanotubes to T-carbon nanowires under picosecond laser irradiation in methanol

(2017) Jinying Zhang et al.   Nature Communications

Homo Citansand Carbon Allotropes: For an Ethics of Citation

(2016) Roald Hoffmann et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

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

A Reinvestigation of a Superhard Tetragonal sp3 Carbon Allotrope

(2016) Mengjiang Xing et al.   Materials

Structural, Elastic, and Electronic Properties of a New Phase of Carbon

(2015) Meng-Jiang Xing et al.   COMMUNICATIONS IN THEORETICAL PHYSICS

C2/m-carbon: structural, mechanical, and electronic properties

(2015) Mengjiang Xing et al.   JOURNAL OF MATERIALS SCIENCE

Structural, mechanical, and electronic properties of P3m1-BCN

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

Mechanical and electronic properties of Ca 1−x Mg x O alloys

(2015) Qingyang Fan et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Applied Topological Analysis of Crystal Structures with the Program Package ToposPro

(2014) Vladislav A. Blatov et al.   CRYSTAL GROWTH & DESIGN

Necessary and sufficient elastic stability conditions in various crystal systems

(2014) Félix Mouhat et al.   PHYSICAL REVIEW B

Ab initio study of elastic properties of super hard and graphitic structures of C3N4

(2013) George S. Manyali et al.   COMPUTATIONAL MATERIALS SCIENCE

T-Carbon: A Novel Carbon Allotrope

(2011) Xian-Lei Sheng et al.   PHYSICAL REVIEW LETTERS

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

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

Superhard semiconductingC3N2compounds predicted via first-principles calculations

(2008) Fubo Tian et al.   PHYSICAL REVIEW B

Universal Elastic Anisotropy Index

(2008) Shivakumar I. Ranganathan et al.   PHYSICAL REVIEW LETTERS