Structures, properties and applications of two-dimensional metal nitrides: from nitride MXene to other metal nitrides

F Zheng, X Xiao, J Xie, L Zhou, Y Li, H Dong - 2D Materials, 2022 - iopscience.iop.org
Abstract The two-dimensional (2D) metal nitrides (MNs), including group IIA nitrides, group
IIIA nitrides, nitride MXene and other transition metal nitrides (TMNs), exhibit unique …

Electronic, magnetic, optical and transport properties of wurtzite-GaN doped with rare earth (RE= Pm, Sm, and Eu): First principles approach

E Maskar, AF Lamrani, M Belaiche, A Es-Smairi… - Surfaces and …, 2021 - Elsevier
A density functional theory (DFT) and semiclassical Boltzmann transport equations (BTE)
has been used to explore the electronic, magnetic, optical and transport properties of Ga 1 …

Adsorption behaviour of NO, NO2, CO and CS2 molecules on the surface of carbon-doped gallium nitride nanosheet: A DFT study

H Roohi, NA Ardehjani - Surface Science, 2022 - Elsevier
The adsorption behaviours of NO, NO 2, CO and CS 2 toxic gas molecules on the surface of
carbon-doped gallium nitride nanosheet (C N-GaNNS) are investigated at the Grimme …

Transition metals (Fe, Ni and Zn) doped GaN nanosheets and their adsorption performance towards SO2 and NO2 toxic gases: A DFT-D approach

H Roohi, NA Ardehjani - Materials Chemistry and Physics, 2022 - Elsevier
The emissions of SO 2 and NO 2 gases in the atmosphere through different sources can
cause environmental problems such as air pollution and acid rain. The electronic properties …

[HTML][HTML] Design of novel hybrid 2D nanomaterials for optical, optoelectronic and micro-electro-mechanical systems applications

VW Elloh, EO Boadu, G Gebreyesus, AK Mishra… - Hybrid Advances, 2023 - Elsevier
Novel hybrid 2D class of ternary nanoheterostructures have been designed by mixing
aluminium nitride (AlN), boron nitride (BN) with 2D graphene with the aim of designing …

L-cysteine functionalized straticulate C3N4 for the selective enrichment of glycopeptides

Y Zhang, H Jing, B Meng, X Qian, W Ying - Journal of chromatography A, 2020 - Elsevier
The facile enrichment of glycopeptides or glycoproteins poses great challenges for
glycoproteomic research. In this study, a novel hydrophilic material, named zwitterionic …

Investigations on electronic structure, magnetic and optical properties of C and Ti co-doped zincblende GaN for optoelectronic applications

MJI Khan, Z Kanwal, A Latif, J Ahmad, P Akhtar… - Optik, 2021 - Elsevier
In the current research, we perform a density functional theory study of C, Ti mono-doped (C-
@ GaN, Ti@ GaN), and their co-doped GaN (C-Ti@ GaN). We investigate the effect of C, Ti …

Ab-initio study of strain-tunable g-GaN/BN nanoheterostructure for optoelectronic and photocatalytic applications

Nitika, DS Ahlawat, S Arora - Journal of Molecular Modeling, 2024 - Springer
Abstract Context Two-dimensional (2D) nanoheterostructures of materials, integrating
various phase or materials into a single nanosheet have stimulated large-scale research …

First principle investigations of the structural, electronic, magnetic, and optical properties of GaN co-doped with carbon and gold (C–Au@ GaN)

A Latif, MJI Khan, Z Kanwal, M Saleem, J Ahmad… - Computational …, 2021 - Elsevier
In the current research, we studied the effect of Au mono-and (C, Au) co-doping effect on the
electronic, structural, magnetic and optical properties of the GaN systems in order to …

[HTML][HTML] 理论计算在GaN 范德华异质结的光催化的研究进展

应豪, 徐京城 - 2022 - snm.usst.edu.cn
近年来, 后石墨烯时代许多新型二维材料表现出优异的物理化学性能, 同时以二维半导体材料为
基础构建的二维范德华异质结复合材料为改善光催化剂性能开辟了新的研究方向 …