Prediction of 2D XC2N4 (X= Ti, Mo, and W) monolayers with high mobility as an encouraging candidate for photovoltaic devices

HR Jappor, AOM Almayyali, HA Mezher, S Al-Qaisi… - Surfaces and …, 2024 - Elsevier
In this study, the impacts of strain and an electric field on the electronic and optical
characteristics of monolayer XC 2 N 4 (X= Ti, Mo, and W) were systematically examined …

Stable distorted phase of monolayers: First-principles insights into structural, vibrational, mechanical, electronic, and optical properties

MJ Varjovi, E Durgun, G Pacchioni, S Tosoni - Physical Review Materials, 2024 - APS
The recent synthesis of two-dimensional (2D) MoSi 2 N 4 and WSi 2 N 4 crystals has given
rise to a new class of 2D materials with distinctive properties and significant potential for …

Raman activity, piezoelectric response, and carrier mobility in two-dimensional Janus TiGeZ3H (Z= N, P, As) semiconductors: A first-principles prediction

AI Kartamyshev, NN Hieu, NA Poklonski… - Materials Science in …, 2025 - Elsevier
In this article, we theoretically propose a series of TiGe Z 3 H (Z= N, P, As) monolayers and
comprehensively investigate their structural, vibrational, piezoelectric, electronic, and …

Tunable Raman activity and enhanced piezoelectricity of AlGeZ2 (Z= N, P, and As) monolayers: A first-principles calculation

TV Vu, VTT Vi, HV Phuc, NPQ Anh, NN Hieu - Ceramics International, 2025 - Elsevier
In this work, we theoretically design a series of two-dimensional (2D) materials with eight
stacked sublayers AlGe Z 2 (or Al 2 Ge 2 Z 4)(Z= N, P, and As) and explore their structural …

First-principles calculations of electronic properties under different magnetic order and optical properties of 2D AlOF monolayer

M Barhoumi, M Said - Physica E: Low-dimensional Systems and …, 2024 - Elsevier
Two-dimensional materials have emerged as promising candidates for service in
miniaturized electronic and optoelectronic devices due to their exceptional properties and …