Investigation of heavy thallium perovskites TlGeX3 (X= Cl, Br and I) for optoelectronic and thermoelectric applications: A DFT study
The present investigation aims to explore the structural, electronic, elastic, optical and
thermoelectric properties of germanium-based heavy thallium halide perovskites TlGeX 3 …
thermoelectric properties of germanium-based heavy thallium halide perovskites TlGeX 3 …
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 …
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) …
First-principles calculations to investigate lead-free double perovskites CsInSbAgX6 (X= Cl, Br and I) for optoelectronic and thermoelectric applications
In this study, novel lead-free double perovskites CsInSbAgX 6 (X= Cl, Br and I) are proposed
and theoretically investigated for the first time for their potential application in optoelectronic …
and theoretically investigated for the first time for their potential application in optoelectronic …
Non-leaded, KSnI3 based perovskite solar cell: A DFT study along with SCAPS simulation
The commercialization of perovskite solar cells raises serious environmental concerns due
to the presence of toxic lead. In the present work, we have studied a non-leaded perovskite …
to the presence of toxic lead. In the present work, we have studied a non-leaded perovskite …
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 …
Lead-free perovskites InSnX3 (X= Cl, Br, I) for solar cell applications: a DFT study on the mechanical, optoelectronic, and thermoelectric properties
This study aims to explore for the first time the mechanical, electronic, optical and
thermoelectric properties of cubic lead-free perovskites InSnBr 3 and InSnI 3 to investigate …
thermoelectric properties of cubic lead-free perovskites InSnBr 3 and InSnI 3 to investigate …
Structural, electronic, elastic, and optical properties of cubic BaLiX 3 (X= F, Cl, Br, or I) perovskites: an ab-initio DFT study
This study reports for the first time the theoretical prediction of structural, electronic, elastic
and optical properties of cubic BaLiCl 3, BaLiBr 3, and BaLiI 3 perovskites. The …
and optical properties of cubic BaLiCl 3, BaLiBr 3, and BaLiI 3 perovskites. The …
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 …