[HTML][HTML] CxNy-based materials as gas sensors: structure, performance, mechanism and perspective

M Chen, H Zhang, H Li, Z Zhao, K Wang, Y Zhou… - Coordination Chemistry …, 2024‏ - Elsevier
Carbon nitride (C x N y) materials, characterized by an ordered two-dimensional without
metal ions structure high N: C ratio, phase transition transformation, predispose them for …

Application of two-dimensional materials as anodes for rechargeable metal-ion batteries: A comprehensive perspective from density functional theory simulations

Y Bahari, B Mortazavi, A Rajabpour, X Zhuang… - Energy Storage …, 2021‏ - Elsevier
Rechargeable lithium-ion batteries (LIBs) have been serving as one the most critical
components of fast growing technologies, such as the mobile electronic and electrified …

Susceptible Detection of Organic Molecules Based on C3B/Graphene and C3N/Graphene van der Waals Heterojunction Gas Sensors

C Luo, N Yang, X Dong, D Qin, G Zhou, T Chen - ACS sensors, 2024‏ - ACS Publications
Constructing van der Waals (vdW) heterostructures is a prospective approach that is
essential for develo** a new generation of functional two-dimensional (2D) materials and …

Tunable electronic and magnetic properties of MoSi2N4 monolayer via vacancy defects, atomic adsorption and atomic do**

A Bafekry, M Faraji, MM Fadlallah, AB Khatibani… - Applied Surface …, 2021‏ - Elsevier
The two dimensional MoSi 2 N 4 (MSN) monolayer exhibiting rich physical and chemical
properties was synthesized for the first time last year. We have used the spin-polarized …

C7N6 monolayer as high capacity and reversible hydrogen storage media: a DFT study

S Hu, Y Yong, Z Zhao, R Gao, Q Zhou… - International Journal of …, 2021‏ - Elsevier
Searching advanced materials with high capacity and efficient reversibility for hydrogen
storage is a key issue for the development of hydrogen energy. In this work, we studied …

Investigation of vacancy defects and substitutional do** in AlSb monolayer with double layer honeycomb structure: a first-principles calculation

A Bafekry, M Faraji, S Karbasizadeh… - Journal of Physics …, 2021‏ - iopscience.iop.org
The experimental knowledge of the AlSb monolayer with double layer honeycomb structure
is largely based on the recent publication (Le Qin et al 2021 ACS Nano 15 8184), where this …

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

A Bafekry, C Stampfl, M Faraji… - Applied Physics …, 2021‏ - pubs.aip.org
Motivated by the recent experimental realization of a two-dimensional (2D) BeN 4
monolayer, in this study we investigate the structural, dynamical, electronic, and optical …

Advances of the functionalized carbon nitrides for electrocatalysis

Q Fan, J Su, T Sun, Z Bi, H Wang, S Zhang… - Carbon …, 2022‏ - Wiley Online Library
Over the past few decades, the design and development of carbon materials have occurred
at a rapid pace. In particular, these porous graphene‐like carbon nitride materials have …

Sensing of volatile organic compounds on two-dimensional nitrogenated holey graphene, graphdiyne, and their heterostructure

T Hussain, M Sajjad, D Singh, H Bae, H Lee… - Carbon, 2020‏ - Elsevier
Gas-sensing properties of nitrogenated holey graphene (C 2 N), graphdiyne (GDY) and their
van der Waals heterostructure (C 2 N… GDY) have been studied towards particular volatile …

Effect of electric field and vertical strain on the electro-optical properties of the MoSi2N4 bilayer: A first-principles calculation

A Bafekry, C Stampfl, M Naseri, MM Fadlallah… - Journal of Applied …, 2021‏ - pubs.aip.org
Recently, a two-dimensional (2D) MoSi 2 N 4 (MSN) structure has been successfully
synthesized [Hong et al., Science 369 (6504), 670–674 (2020)]. Motivated by this result, we …