Pressure-driven modification of optoelectronic features of ACaCl3 (A= Cs, Tl) for device applications
Intending to advance the use of halide-perovskites in technological applications, in this
research, we investigate the structural, electronic, optical, and mechanical behavior of metal …
research, we investigate the structural, electronic, optical, and mechanical behavior of metal …
A comprehensive theoretical analysis of the physical attributes of cesium-based Cs2LiTlCl6 double perovskites for eco-friendly technologies
Cesium-based double perovskites exhibit promising optoelectronic and thermoelectric
potential, making them appropriate candidates for efficient and stable renewable energy …
potential, making them appropriate candidates for efficient and stable renewable energy …
Band structure engineering to improve the optical and thermoelectric properties of Rb2AgXBr6 (X= Al, In, Ga) for energy applications within DFT framework
In the current study, we have employed density functional theory to evaluate thermoelectric,
optical and electronic properties of rubidium bromide based double perovskites. It has been …
optical and electronic properties of rubidium bromide based double perovskites. It has been …
Pressure-induced band gap engineering and enhanced optoelectronic properties of non-toxic Ca-based perovskite CsCaCl3: Insights from density functional theory
Z Jellil, H Ez-Zahraouy - Computational Condensed Matter, 2024 - Elsevier
This study investigates the impact of hydrostatic pressure on the structural, electronic,
optical, and mechanical properties of the cubic halide perovskite CsCaCl 3. The pressure …
optical, and mechanical properties of the cubic halide perovskite CsCaCl 3. The pressure …
Indirect to direct band gap transition of ABI3 (A= Rb, Cs; B= Ca, Sr) perovskites under hydrostatic pressure for photovoltaic and optoelectronic applications: A DFT …
The objective of this study is to enhance the utilization of ABI 3 (A= Rb, Cs; B= Ca, Sr) metal-
halide perovskites in multiple forms of technological applications by investigating their …
halide perovskites in multiple forms of technological applications by investigating their …
First principles study on the structural stability, mechanical stability and optoelectronic properties of alkali-based single halide perovskite compounds XMgI 3 (X= Li/Na …
Metal-halide perovskites are recognized as cutting-edge solar energy technology, boasting
remarkable absorption capabilities, minimal environmental impact, and cost-effectiveness …
remarkable absorption capabilities, minimal environmental impact, and cost-effectiveness …
From Ce (IO 3) 4 to CeF 2 (IO 3) 2: fluorinated homovalent substitution simultaneously enhances SHG response and bandgap for mid-infrared nonlinear optics
T Wu, X Jiang, C Wu, H Sha, Z Wang, Z Lin… - Journal of Materials …, 2021 - pubs.rsc.org
Efficient mid-infrared (mid-IR) nonlinear optical (NLO) crystals are highly desirable, but it
remains extremely challenging to simultaneously achieve a strong second harmonic …
remains extremely challenging to simultaneously achieve a strong second harmonic …
Strain effect on the physical properties of novel Mg3NI3 perovskite material: First principle DFT analysis
Inorganic perovskite-based substances have become a major attraction to solar technology.
Inorganic cubic Mg 3 NI 3 perovskites have generated a heap of fascination owing to their …
Inorganic cubic Mg 3 NI 3 perovskites have generated a heap of fascination owing to their …
Thermodynamic study of CsCaCl 3 using neutron diffraction
The pressure and temperature phase diagram of the halide-based perovskite, CsCaCl3 is
investigated using neutron diffraction. At ambient pressure, it undergoes a cubic to …
investigated using neutron diffraction. At ambient pressure, it undergoes a cubic to …
Ab-initio atomistic insights into lead-free perovskites for photovoltaics technology
N Iram, J Ahmad, K Akram, A Kumar - Materials Today Communications, 2024 - Elsevier
The primary objective of this manuscript is to enhance knowledge and comprehension of
hexagonal perovskites KNiX 3 (X= I, Br). The world is fascinated by halide perovskites …
hexagonal perovskites KNiX 3 (X= I, Br). The world is fascinated by halide perovskites …