A novel two-dimensional boron–carbon–nitride (BCN) monolayer: A first-principles insight

MoSi2N4 single-layer: a novel two-dimensional material with outstanding mechanical, thermal, electronic and optical properties

(2021) Asadollah Bafekry et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Defective BC2N as an Anode Material with Improved Performance for Lithium-Ion Batteries

(2021) Jing Zhang et al.   Journal of Physical Chemistry C

Theoretical Prediction of Two-Dimensional Materials, Behavior, and Properties

(2021) Evgeni S. Penev et al.   ACS Nano

Metal-Free Photocatalysis: Two-Dimensional Nanomaterial Connection toward Advanced Organic Synthesis

(2021) Cristian Rosso et al.   ACS Nano

High‐performance adsorptive desulfurization by ternary hybrid boron carbon nitride aerogel

(2021) Jing Luo et al.   AICHE JOURNAL

Electronic and magnetic properties of two-dimensional of FeX (X = S, Se, Te) monolayers crystallize in the orthorhombic structures

(2021) A. Bafekry et al.   APPLIED PHYSICS LETTERS

Ab initio prediction of semiconductivity in a novel two-dimensional Sb2X3 (X= S, Se, Te) monolayers with orthorhombic structure

(2021) A. Bafekry et al.   Scientific Reports

A Dirac-semimetal two-dimensional BeN4: Thickness-dependent electronic and optical properties

(2021) A. Bafekry et al.   APPLIED PHYSICS LETTERS

Piezoelectricity in monolayer B C N structures: A first principles study

(2021) M. Menderes Alyörük   COMPUTATIONAL MATERIALS SCIENCE

Prediction of two-dimensional bismuth-based chalcogenides Bi2X3(X = S, Se, Te) monolayers with orthorhombic structure: a first-principles study

(2021) A Bafekry et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Stone–Wales Defect Induced Performance Improvement of BC3 Monolayer for High Capacity Lithium-Ion Rechargeable Battery Anode Applications

(2020) Siby Thomas et al.   Journal of Physical Chemistry C

Penta-BCN: A New Ternary Pentagonal Monolayer with Intrinsic Piezoelectricity

(2020) Kexian Zhao et al.   Journal of Physical Chemistry Letters

Growth and Grain Boundaries in 2D Materials

(2020) Wenqian Yao et al.   ACS Nano

Electronic and effective mass modulation in two-dimensional BCN by strain engineering

(2020) Lifei Liu et al.   NANOTECHNOLOGY

Methanol conversion on borocarbonitride catalysts: Identification and quantification of active sites

(2020) Xuefei Zhang et al.   Science Advances

Strain-induced work function in h-BN and BCN monolayers

(2020) S. Thomas et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Vertical two-dimensional layered conjugated porous organic network structures of poly-benzimidazobenzophenanthroline (BBL): A first-principles study

(2020) A. Bafekry et al.   APPLIED PHYSICS LETTERS

Two-dimensional carbon nitride C6N nanosheet with egg-comb-like structure and electronic properties of a semimetal

(2020) Asadollah Bafekry et al.   NANOTECHNOLOGY

Elastic and Bandgap Modulations of Hexagonal BC 2 N From First‐Principles Calculations

(2019) Shuaiqi Li et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Metal-Free Dehydrogenation of N-Heterocycles by Ternary h -BCN Nanosheets with Visible Light

(2018) Meifang Zheng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Boron Carbon Nitride Semiconductors Decorated with CdS Nanoparticles for Photocatalytic Reduction of CO2

(2018) Min Zhou et al.   ACS Catalysis

Carbon doping of hexagonal boron nitride porous materials toward CO2 capture

(2018) Siru Chen et al.   Journal of Materials Chemistry A

Structure-Mediated Charge Separation in Boron Carbon Nitride for Enhanced Photocatalytic Oxidation of Alcohol

(2018) Min Zhou et al.   ChemSusChem

Borocarbonitrides as Metal-Free Catalysts for the Hydrogen Evolution Reaction

(2018) Chintamani Nagesa Ramachandra Rao et al.   ADVANCED MATERIALS

Borocarbonitrides, BxCyNz , 2D Nanocomposites with Novel Properties

(2018) C. N. R. Rao et al.   BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

Theoretical prediction of thermal transport in BC 2 N monolayer

(2017) Changpeng Lin et al.   Nano Energy

Borocarbonitrides, BxCyNz: Synthesis, Characterization, and Properties with Potential Applications

(2016) C. N. R. Rao et al.   ACS Applied Materials & Interfaces

Facile Green Synthesis of BCN Nanosheets as High-Performance Electrode Material for Electrochemical Energy Storage

(2016) Indrapal Karbhal et al.   CHEMISTRY-A EUROPEAN JOURNAL

Superior performance of borocarbonitrides, BxCyNz, as stable, low-cost metal-free electrocatalysts for the hydrogen evolution reaction

(2016) Manjeet Chhetri et al.   Energy & Environmental Science

Criticality of surface topology for charge-carrier transport characteristics in two-dimensional borocarbonitrides: design principles for an efficient electronic material

(2014) Swastika Banerjee et al.   Nanoscale

Lattice vibrational modes and phonon thermal conductivity of monolayer MoS2

(2014) Yongqing Cai et al.   PHYSICAL REVIEW B

First-principles study of structural and electronic properties of C14-type Laves phase Al2Zr and Al2Hf

(2013) Wen-Cheng Hu et al.   COMPUTATIONAL MATERIALS SCIENCE

Oxygen adsorption on honeycomb BC2N monolayers

(2013) Gökhan Gökoğlu et al.   MATERIALS LETTERS

Divergence of the thermal conductivity in uniaxially strained graphene

(2013) Luiz Felipe C. Pereira et al.   PHYSICAL REVIEW B

Borocarbonitrides, BxCyNz

(2013) Nitesh kumar et al.   Journal of Materials Chemistry A

Lateral Graphene–hBCN Heterostructures as a Platform for Fully Two-Dimensional Transistors

(2012) Gianluca Fiori et al.   ACS Nano

Binary and Ternary Atomic Layers Built from Carbon, Boron, and Nitrogen

(2012) Li Song et al.   ADVANCED MATERIALS

Thermolytic synthesis of graphitic boron carbon nitride from an ionic liquid precursor: mechanism, structure analysis and electronic properties

(2012) Tim-Patrick Fellinger et al.   JOURNAL OF MATERIALS CHEMISTRY

Laser Scribing of High-Performance and Flexible Graphene-Based Electrochemical Capacitors

(2012) M. F. El-Kady et al.   SCIENCE

Designing band gap of graphene by B and N dopant atoms

(2012) Pooja Rani et al.   RSC Advances

Few-atomic-layered boron carbonitride nanosheets prepared by chemical vapor deposition

(2011) Li Qin et al.   Nanoscale

Enhanced thermal conductivity and isotope effect in single-layer hexagonal boron nitride

(2011) L. Lindsay et al.   PHYSICAL REVIEW B

Electronic structure tuning and band gap opening of graphene by hole/electron codoping

(2011) Xiaohui Deng et al.   PHYSICS LETTERS A

Carbon-Based Supercapacitors Produced by Activation of Graphene

(2011) Y. Zhu et al.   SCIENCE

Electrochemical deposition of polypyrrole/graphene oxide composite on microelectrodes towards tuning the electrochemical properties of neural probes

(2011) Meng Deng et al.   SENSORS AND ACTUATORS B-CHEMICAL

Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections

(2010) Tomáš Bučko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Flexural phonons and thermal transport in graphene

(2010) L. Lindsay et al.   PHYSICAL REVIEW B

Synthesis, Structure, and Properties of Boron- and Nitrogen-Doped Graphene

(2009) L. S. Panchakarla et al.   ADVANCED MATERIALS

PHON: A program to calculate phonons using the small displacement method

(2009) Dario Alfè   COMPUTER PHYSICS COMMUNICATIONS