An extensive study on multiple ETL and HTL layers to design and simulation of high-performance lead-free CsSnCl3-based perovskite solar cells
Cesium tin chloride (CsSnCl3) is a potential and competitive absorber material for lead-free
perovskite solar cells (PSCs). The full potential of CsSnCl3 not yet been realized owing to …
perovskite solar cells (PSCs). The full potential of CsSnCl3 not yet been realized owing to …
Combined DFT, SCAPS-1D, and wxAMPS frameworks for design optimization of efficient Cs 2 BiAgI 6-based perovskite solar cells with different charge transport …
In this study, combined DFT, SCAPS-1D, and wxAMPS frameworks are used to investigate
the optimized designs of Cs2BiAgI6 double perovskite-based solar cells. First-principles …
the optimized designs of Cs2BiAgI6 double perovskite-based solar cells. First-principles …
Metal/covalent organic framework encapsulated lead-free halide perovskite hybrid nanocatalysts: Multifunctional applications, design, recent trends, challenges, and …
Perovskites are bringing revolutionization in a various fields due to their exceptional
properties and crystalline structure. Most specifically, halide perovskites (HPs), lead-free …
properties and crystalline structure. Most specifically, halide perovskites (HPs), lead-free …
Lead‐Free Halide Perovskite Photocatalysts for Photocatalytic CO2 Reduction: A Review
X Wang, B Hu, Y Li, G Zhang - Solar RRL, 2023 - Wiley Online Library
Solar‐driven CO2 conversion is a promising strategy for solving energy and environmental
crises. Develo** photocatalysts with high performance is the key to achieve efficient CO2 …
crises. Develo** photocatalysts with high performance is the key to achieve efficient CO2 …
A first-principles study to investigate the physical properties of Sn-based hydride perovskites XSnH3 (X= K, Li) for hydrogen storage application
Based on density functional theory, the present study used the Cambridge serial total energy
package code to figure out the structural, electronic, magnetic, optical, and mechanical …
package code to figure out the structural, electronic, magnetic, optical, and mechanical …
Investigation of structural, electronic, elastic and optical properties of Ge-halide perovskites NaGeX3 (X= Cl, Br and I): A first-principles DFT study
Lead-free perovskites are among materials that are currently most investigated for their
potential application in photovoltaic and optoelectronic applications due to their non-toxic …
potential application in photovoltaic and optoelectronic applications due to their non-toxic …
A DFT investigation of lead-free TlSnX 3 (X= Cl, Br, or I) perovskites for potential applications in solar cells and thermoelectric devices
In the present study, the Density Functional Theory (DFT) was employed to computationally
investigate the potential application of newly developed lead-free perovskites with the …
investigate the potential application of newly developed lead-free perovskites with the …
Structural, electronics, magnetic, optical, mechanical and hydrogen storage properties of Ga‐based hydride‐perovskites XGaH3 (X = K, Li)
M Usman, J ur Rehman, MB Tahir… - International Journal of …, 2022 - Wiley Online Library
The present study investigates some physical properties of KGaH3 and LiGaH3 whose
lattice parameters and band gap match well with a previous study involving Ga‐based …
lattice parameters and band gap match well with a previous study involving Ga‐based …
Effects of metals (X= Be, Mg, Ca) encapsulation on the structural, electronic, phonon, and hydrogen storage properties of KXCl3 halide perovskites: Perspective from …
IJ Mbonu, H Louis, UG Chukwu, EC Agwamba… - International Journal of …, 2024 - Elsevier
To overcome the challenges surrounding toxic and unstable lead-based halide perovskites,
it is important to develop promising non-toxic s-block halide perovskites that can serve as an …
it is important to develop promising non-toxic s-block halide perovskites that can serve as an …
Ab initio study of structural, elastic, electronic, optical and thermoelectric properties of cubic Ge-based fluoroperovskites AGeF3 (A= K, Rb and Fr)
Structural, elastic, electronic, optical and thermoelectric properties of fluoroperovskites AGeF
3 (A= K, Rb, and Fr) have been investigated using Density Functional Theory (DFT) …
3 (A= K, Rb, and Fr) have been investigated using Density Functional Theory (DFT) …