2D heterostructures for ubiquitous electronics and optoelectronics: principles, opportunities, and challenges

PV Pham, SC Bodepudi, K Shehzad, Y Liu, Y Xu… - Chemical …, 2022 - ACS Publications
A grand family of two-dimensional (2D) materials and their heterostructures have been
discovered through the extensive experimental and theoretical efforts of chemists, material …

Single atoms on a nitrogen-doped boron phosphide monolayer: A new promising bifunctional electrocatalyst for ORR and OER

H Zeng, X Liu, F Chen, Z Chen, X Fan… - ACS Applied Materials & …, 2020 - ACS Publications
Efficient oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) bifunctional
electrocatalysts have been pursued for decades. Meanwhile, single metal atoms embedded …

Two-Dimensional Boron Phosphide/MoGe2N4 van der Waals Heterostructure: A Promising Tunable Optoelectronic Material

C Nguyen, NV Hoang, HV Phuc, AY Sin… - The Journal of …, 2021 - ACS Publications
A van der Waals (VDW) heterostructure offers an effective strategy to create designer
physical properties in vertically stacked two-dimensional (2D) materials, and offers a new …

Investigation of vacancy defects and substitutional doping 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 …

Unraveling the effect of Gd doping on the structural, optical, and magnetic properties of ZnO based diluted magnetic semiconductor nanorods

MM Obeid, HR Jappor, K Al-Marzoki, IA Al-Hydary… - RSC …, 2019 - pubs.rsc.org
The structural, magnetic, and optical properties of the pristine and Gd-doped ZnO nanorods
(NRs), prepared by facile thermal decomposition, have been studied using a combination of …

Electro-optical properties of monolayer and bilayer boron-doped C3N: tunable electronic structure via strain engineering and electric field

A Bafekry, M Yagmurcukardes, M Shahrokhi… - Carbon, 2020 - Elsevier
In this work, the structural, electronic and optical properties of monolayer and bilayer of
boron doped C3N are investigated by means of density functional theory-based first …

First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate

MM Obeid, C Stampfl, A Bafekry, Z Guan… - Physical Chemistry …, 2020 - pubs.rsc.org
Nonmetal doping is an effective approach to modify the electronic band structure and
enhance the photocatalytic performance of bismuth oxyhalides. Using density functional …

Strain effect on the electronic and optical properties of 2D Tetrahexcarbon: a DFT-based study

DM Hoat, S Amirian, H Alborznia, A Laref… - Indian Journal of …, 2021 - Springer
A new two-dimensional (2D) carbon allotrope, namely Tetrahexcarbon (TH-carbon)
semiconductor monolayer with a direct band gap resides in the visible region of the …

Stacking impact on the optical and electronic properties of two-dimensional MoSe2/PtS2 heterostructures formed by PtS2 and MoSe2 monolayers

AOM Almayyali, BB Kadhim, HR Jappor - Chemical Physics, 2020 - Elsevier
Herein, we systematically examine the electronic, optical and structural properties of two-
dimensional MoSe 2/PtS 2 van der Waals (vdW) heterostructures using the density …

Van der Waals heterostructures of MoS2 and Janus MoSSe monolayers on graphitic boron-carbon-nitride (BC3, C3N, C3N4 and C4N3) nanosheets: a first-principles …

A Bafekry, M Yagmurcukardes, B Akgenc… - Journal of Physics D …, 2020 - iopscience.iop.org
In this work, we extensively investigate the structural and electronic properties of van der
Waals heterostructures (HTs) constructed by MoS 2/BC 3, MoS 2/C 3 N, MoS 2/$ C_ {3} N …