Tuning band gap and enhancing optical functions of AGeF3 (A = K, Rb) under pressure for improved optoelectronic applications
The current study diligently analyzes the physical characteristics of halide perovskites
AGeF3 (A= K, Rb) under hydrostatic pressure using density functional theory. The goal of …
AGeF3 (A= K, Rb) under hydrostatic pressure using density functional theory. The goal of …
The investigation of the electronic, optical, and thermoelectric properties of the Ge‐based halide perovskite AGeI2Br (a = K, Rb, Cs) compound for a photovoltaic …
The electronic, optical, photocatalytic, and thermoelectric properties of inorganic halide
cubic perovskite AGeI2Br (A= K, Rb, Cs) are investigated using the density functional theory …
cubic perovskite AGeI2Br (A= K, Rb, Cs) are investigated using the density functional theory …
Examining anion influence on the physical properties and performance analysis of lead-free calcium-based Ca3NX3 (X= F, Cl, Br and I) perovskite
MSI Ria, A Ghosh, MA Rahman, JY Al-Humaidi… - Materials Science and …, 2024 - Elsevier
This study uses DFT first-principles calculations to explore the structural, thermodynamic,
electronic, phonon, mechanical, elastic, and optical properties of calcium-based halide …
electronic, phonon, mechanical, elastic, and optical properties of calcium-based halide …
The comparative investigations of structural, optoelectronic, and mechanical properties of AgBeX3 (X = F and Cl) metal halide-perovskites for prospective energy …
In the twenty-first century, a key focus is the search for materials that hold promise for energy
generation and storage. Solar energy, with its abundant availability and minimal impact on …
generation and storage. Solar energy, with its abundant availability and minimal impact on …
Electronic phase transition and enhanced optoelectronic performance of lead-free halide perovskites AGeI3 (A= Rb, K) under pressure
The interests and priorities of lead-free halide perovskites are receiving more attention from
the research community due to their various strata of scientific and engineering disciplines …
the research community due to their various strata of scientific and engineering disciplines …
Examining the electronic, structural, optical, and photovoltaic capabilities of Sr3AsBr3 perovskite under tensile and compressive strains with DFT and SCAPS-1D
A significant amount of interest in the field of solar energy has recently been generated by
the remarkable optical, structural, and electronic attributes of inorganic perovskite-based …
the remarkable optical, structural, and electronic attributes of inorganic perovskite-based …
Optimization and detail analysis of novel structure Pb-free CsGeI3-based all-inorganic perovskite solar cells by SCAPS-1D
In this work, a novel structure of all inorganic PSC (TCO/TiO 2/CsGeI 3/MoO 3/Back Metal
contact) has been numerically investigated and optimized. Initially, we simulated the …
contact) has been numerically investigated and optimized. Initially, we simulated the …
Modification of band gaps by changing anions to optimize the double perovskites K2NaTlX6 (X= Cl, Br, I) for solar cells and transport applications
Double perovskites are emerging materials for solar cell and thermoelectric applications due
to their environmentally friendly nature, high stability, and excellent functioning. In the …
to their environmentally friendly nature, high stability, and excellent functioning. In the …
Structure and optical properties of Cs2TiBrxI6− x
S Fu, X Sun, S Jiao, J Jiang, C Xu, H Cai… - Materials Today …, 2024 - Elsevier
The objective of this research was to develop lead-free double-perovskite materials with
adjustable optical bandgaps for improved optoelectronic performance. By experimental …
adjustable optical bandgaps for improved optoelectronic performance. By experimental …
Unveiling the pressure-driven modulations in AGeF3 (A= Na, Tl) cubic perovskite halides for enhanced optoelectronic performance
Abstract The Generalized Gradient Approximation (GGA), founded on density functional
theory (DFT), is employed under high pressure to investigate the structural, electronic …
theory (DFT), is employed under high pressure to investigate the structural, electronic …