High hydrogen production in two-dimensional GaTe/ZnI2 type-II heterostructure for water splitting
In this work, first-principles calculation was used to systematically examine the structural,
electronic, and optical properties of the GaTe/ZnI 2 heterostructure under the biaxial strain …
electronic, and optical properties of the GaTe/ZnI 2 heterostructure under the biaxial strain …
Prediction of new 2D Hf2Br2N2 monolayer as a promising candidate for photovoltaic applications
AOM Almayyali, HR Jappor - Materials Chemistry and Physics, 2023 - Elsevier
In the present work, the structural and optoelectronic properties of pristine and strained
hexagonal Hf 2 Br 2 N 2 monolayer have been investigated using the first-principles …
hexagonal Hf 2 Br 2 N 2 monolayer have been investigated using the first-principles …
Prediction of two-dimensional AlBrSe monolayer as a highly efficient photocatalytic for water splitting
S Tareq, AOM Almayyali, HR Jappor - Surfaces and Interfaces, 2022 - Elsevier
The effect of biaxial strain on the electronic and optical properties of orthorhombic two-
dimensional AlBrSe monolayer was investigated by the first-principles calculations. Stability …
dimensional AlBrSe monolayer was investigated by the first-principles calculations. Stability …
Two-dimensional penta-like PdPSe with a puckered pentagonal structure: a first-principles study
Low-symmetry penta-PdPSe (Pd4P4Se4) with intrinsic in-plane anisotropy was synthesized
successfully [P. Li et al., Adv. Mater., 2021, 2102541]. Motivated by this experimental …
successfully [P. Li et al., Adv. Mater., 2021, 2102541]. Motivated by this experimental …
Two-dimensional XY monolayers (X= Al, Ga, In; Y= N, P, As) with a double layer hexagonal structure: A first-principles perspective
In this paper, we systematically investigate the structural, mechanical, optical and electronic
properties of novel two-dimensional XY (X= Al, Ga, In; Y= N, P, As) monolayers in the double …
properties of novel two-dimensional XY (X= Al, Ga, In; Y= N, P, As) monolayers in the double …
Simulation and optimization studies on CsPbI3 based inorganic perovskite solar cells
V Sebastian, J Kurian - Solar Energy, 2021 - Elsevier
Cesium lead iodide (CsPbI 3) based perovskite solar cell (PSC) with inorganic electron and
hole transport layers is simulated using SCAPS 1D to find optimum performance conditions …
hole transport layers is simulated using SCAPS 1D to find optimum performance conditions …
Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations
The fabrication of the C 6 N 7 monolayer [Zhao et al., Sci. Bull. 66, 1764 (2021)] motivated us
to discover the optical, structural, mechanical, and electronic properties of the C 6 N 7 …
to discover the optical, structural, mechanical, and electronic properties of the C 6 N 7 …
Asymmetric XMoSiN2 (X= S, Se, Te) monolayers as novel promising 2D materials for nanoelectronics and photovoltaics
In this paper, we study asymmetric 2D materials XMoSiN 2 constructed and optimized from
MoSi 2 N 4 by deleting SiN from one side and replacing remaining N atoms from the same …
MoSi 2 N 4 by deleting SiN from one side and replacing remaining N atoms from the same …
Tunable electronic properties of porous graphitic carbon nitride (C6N7) monolayer by atomic do** and embedding: A first-principle study
Motivated by the successful synthesis of the porous graphitic carbon nitride (C 6 N 7)
monolayer very recently, we investigate the structural and electronic properties of C 6 N 7 …
monolayer very recently, we investigate the structural and electronic properties of C 6 N 7 …
Investigation of vacancy defects and substitutional do** in AlSb monolayer with double layer honeycomb structure: a first-principles calculation
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 …
is largely based on the recent publication (Le Qin et al 2021 ACS Nano 15 8184), where this …