Functionalized hexagonal boron nitride bilayers: desirable electro-optical properties for optoelectronic applications

H Shu - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
Structural, electronic, and optical properties of functionalized hexagonal boron nitride (h-BN)
bilayer were deeply explored by carrying out the PBE+ G0W0+ BSE calculations …

BN white graphene well-dispersed solar salt nanofluids with significant improved thermal properties for concentrated solar power plants

C Yan, J Liang, X Zhong, C Li, D Chen, Z Wang… - Solar Energy Materials …, 2022 - Elsevier
Solar salt is the most commonly used medium for thermal storage and transfer in
concentrated solar power (CSP) plants, and the utilization efficiency of solar energy is …

Diffusion of lithium ions in amorphous and crystalline poly (ethylene oxide) 3: LiCF3SO3 polymer electrolytes

S Xue, Y Liu, Y Li, D Teeters, DW Crunkleton… - Electrochimica Acta, 2017 - Elsevier
Abstract The PEO 3: LiCF 3 SO 3 polymer electrolyte has attracted significant research due
to high conductivity and enhanced stability in lithium polymer batteries. Most experimental …

Computational analysis of apatite-type compounds for band gap engineering: DFT calculations and structure prediction using tetrahedral substitution

HK Liu, LB Liao, YY Zhang, SM Aksenov, N Liu… - Rare Metals, 2021 - Springer
Mineral apatite compounds have attracted significant interest due to their chemical stability
and adjustable hexagonal structure, which makes them suitable as new photovoltaic …

Electric field tunable electronic properties of P-ZnO and SiC-ZnO van der Waals heterostructures

HU Din, M Idrees, TA Alrebdi, CV Nguyen… - Computational Materials …, 2019 - Elsevier
The vertical stacking and influence of external electric field are good techniques to tune the
electronic properties of two-dimensional materials for potential nanoelectronics and …

Structural, electronic, optical, thermoelectric and photocatalytic properties of SiS/MXenes van der Waals heterostructures

A Abid, M Idrees, HU Din, Q Alam, B Amin… - Materials Today …, 2021 - Elsevier
Vertical stacking of two-dimensional materials into layered van der Waals heterostructures
are recently considered as promising candidates for optoelectronic devices because they …

Magnetic semiconductors and half-metals in FeRu-based quaternary Heusler alloys

X Guo, Z Ni, Z Liang, H Luo - Computational Materials Science, 2018 - Elsevier
Phase stability, electronic structure and magnetic properties of the FeRu-based quaternary
Heusler alloys, FeRuYZ (Y= Ti, V, Cr, Mn and Z= Al, Ga, In, Si, Ge, Sn), have been …

Compositional phase diagram and microscopic mechanism of Ba 1− x Ca x Zr y Ti 1− y O 3 relaxor ferroelectrics

SY Liu, Y Meng, S Liu, DJ Li, Y Li, Y Liu… - Physical Chemistry …, 2017 - pubs.rsc.org
With extensive first-principles density-functional calculations, we construct a three-
dimensional compositional phase diagram of Ba1− xCaxZryTi1− yO3 (BCZT) with the Ca …

Thickness of monolayer h-BN nanosheet and edge effect on free vibration behaviors

JW Yan, LH Tong, RJ Luo, D Gao - International Journal of Mechanical …, 2019 - Elsevier
The controversy on thickness of monolayer h-BN nanosheets yields scattered elastic
properties, and thus scattered flexural rigidity. In this paper, the thickness is exactly …

First-principles investigation of stable lead-free halide perovskite materials CsSnCl x Br y I3− x− y for solar cell applications

Y Li, LG McKinney, Y He, SY Liu… - Journal of Physics …, 2023 - iopscience.iop.org
Perovskite solar cells based on hybrid organic–inorganic lead halide materials have
attracted immense interest in recent years due to their enhanced power conversion …