Recent insights into BCN nanomaterials–synthesis, properties and applications

M Kaur, K Singh, A Vij, A Kumar - New Journal of Chemistry, 2023 - pubs.rsc.org
This review provides an overview of materials within the B–C–N triangular zone. The
structure, properties, synthesis routes and applications of boron carbon nitride (BCN) …

[HTML][HTML] Graphene-like BC6N nanosheets are potential candidates for detection of volatile organic compounds (VOCs) in human breath: A DFT study

SM Aghaei, A Aasi, S Farhangdoust… - Applied Surface …, 2021 - Elsevier
In this work, we employ first-principles density functional theory calculations and
nonequilibrium Green's function formalism to investigate the potential application of …

Optical, optoelectronic, and photoelectric properties in moire superlattices of twist bilayer graphene

J Wang, W Bo, Y Ding, X Wang, X Mu - Materials Today Physics, 2020 - Elsevier
Graphene's zero-bandgap energy band structure limits its electrical applications but gives it
superior optical and optoelectronic properties. In twisted bilayer graphene (TwBLG), a …

Realizing spontaneous valley polarization and topological phase transitions in monolayer ScX2 (X= Cl, Br, I)

Y Wu, J Tong, L Deng, F Luo, F Tian, G Qin, X Zhang - Acta Materialia, 2023 - Elsevier
Manipulating the valley degree of freedom besides the charge and spin has attracted
increasing interest in fundamental sciences and emerging applications. In this study, the …

Flexible C6BN Monolayers As Promising Anode Materials for High-Performance K-Ion Batteries

P Xiang, S Sharma, ZM Wang, J Wu… - … applied materials & …, 2020 - ACS Publications
K-ion batteries attract extensive attention and research efforts because of the high energy
density, low cost, and high abundance of K. Although they are considered suitable …

Outstanding Performance of Transition-Metal-Decorated Single-Layer Graphene-like BC6N Nanosheets for Disease Biomarker Detection in Human Breath

A Aasi, S Mehdi Aghaei, B Panchapakesan - ACS omega, 2021 - ACS Publications
In the present work, we report highly sensitive and selective nanosensors constructed with
metal-decorated graphene-like BC6N employing nonequilibrium Green's function (NEGF) …

Highly enhanced NH3-sensing performance of BC6N monolayer with single vacancy and Stone-Wales defects: A DFT study

Y Yong, F Ren, Z Zhao, R Gao, S Hu, Q Zhou… - Applied Surface …, 2021 - Elsevier
Searching for suitable NH 3-sensing materials has important scientific significance and
application value. Using DFT calculations, the adsorption behaviors, electronic, gas …

Graphene-like BC6N single-layer: Tunable electronic and magnetic properties via thickness, gating, topological defects, and adatom/molecule

A Bafekry - Physica E: Low-dimensional Systems and …, 2020 - Elsevier
By using density functional theory-based first-principles calculations, we investigate the
structural, electronic, optical, and transport properties of pristine single-layer BC 6 N. Under …

Revealing the potential of a C6BN/black phosphorene nanocomposite as an anode material for sodium-ion batteries by atomistic simulation: DFT and AIMD

Z Mansouri, Z El Kacemi, MEL Kassaoui… - Journal of Power …, 2024 - Elsevier
Black phosphorus (BP) has recently been regarded as a promising anode for sodium-ion
batteries (SIBs) owing to its high storage capacity, rapid Na mobility in its lamellar structure …

Electronic structure and carrier mobility of BC6N/BN van der Waals heterostructure induced by in-plane strains

N Jiang, Y Xie, S Wang, Y Song, L Chen, W Han… - Applied Surface …, 2023 - Elsevier
Abstract A novel BC 6 N/BN van der Waals heterostructure is fabricated by stacking a
semiconducting BC 6 N sheet on a hexagonal BN monolayer. Employing first-principles …