Vacancy-engineered half-metallicity and magnetic anisotropy in CrSI semiconductor monolayer

I Muhammad, A Ali, L Zhou, W Zhang… - Journal of Alloys and …, 2022 - Elsevier
By virtue of their complete spin polarization at the Fermi level, two-dimensional (2D)
magnetic half-metallic materials are emerging as one of the latest wonder building blocks for …

Superior carrier tuning in ultrathin superconducting materials by electric-field gating

P Liu, B Lei, X Chen, L Wang, X Wang - Nature Reviews Physics, 2022 - nature.com
Abstract Two-dimensional (2D) superconductors with excellent crystallinity down to the
monolayer have many unusual properties absent in the three-dimensional (3D) bulk, such …

First principles predictions of Na and K storage in layered SnSe2

J Rehman, X Fan, MK Butt, A Laref, VA Dinh… - Applied Surface …, 2021 - Elsevier
Recent years have witnessed a flow of research in two-dimensional (2D) materials for the
development of new rechargeable metal-ion battery systems due to their large surface areas …

The elastic, electron, phonon, and vibrational properties of monolayer XO2 (X= Cr, Mo, W) from first principles calculations

W Fang, X ** novel two-dimensional (2D) materials and exploring their unique properties and
diverse potential applications are crucial areas of focus in materials science. Using density …

Tailoring the electronic and optical properties of ZrS2/ZrSe2 vdW heterostructure by strain engineering

JM Zhang, XY Gao, XM Wei, YH Huang, A Ali, I Shahid - Thin Solid Films, 2022 - Elsevier
Under framework of first-principles calculation, we construct ZrS 2/ZrSe 2 heterostructure
and explore the effects of the uniaxial and biaxial strains on its electronic and optical …

Monolayer XN2 (XTi, Zr, Hf): novel 2D materials with high stability, simultaneously high electron and hole mobilities from density functional theory

XF Sheng, S Chen, WB Kang, WY Fang - Materials Today Communications, 2022 - Elsevier
Abstract 2D nitrides have attracted extensive attention because of their novel photoelectric
properties and wide applications. In this work, we propose three novel 2D nitride materials …

Electrochemical Peeling Few-Layer SnSe2 for High-Performance Ultrafast Photonics

S Lv, X Liu, X Li, W Luo, W Xu, Z Shi… - … Applied Materials & …, 2020 - ACS Publications
In recent years, the photoelectric properties and nonlinear optical properties of layered metal
chalcogenides (LMCs) have attracted extensive attentions. Because of lower phonon …

Prediction of mechanical, electronic and optical properties of monolayer 1T Si-dichalcogenides via first-principles theory

NH Linh, TT Quang, NM Son, V Van Thanh - Materials Today …, 2023 - Elsevier
This study utilizes first-principles calculations to predict the mechanical, electronic, and
optical properties of 1 T Si-dichalcogenides (SiX 2; X= S, Se, and Te). The results of dynamic …