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Published in 2023 at "ACS Omega"
DOI: 10.1021/acsomega.2c05845
Abstract: Coded within Wien2K, we carry out DFT-based calculations for investigations of the structural, elastic, optoelectronic, and thermoelectric properties of BaXF3 (X = Co, Ir) fluoro-perovskites. The Birch–Murnaghan fit to the energy-vs-volume data and formation energy…
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Keywords:
fluoro perovskites;
properties baxf3;
bacof3;
optoelectronic thermoelectric ... See more keywords
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Published in 2023 at "Molecules"
DOI: 10.3390/molecules28114418
Abstract: This research is being conducted to learn more about various compounds and their potential uses in various fields such as renewable energy, electrical conductivity, the study of optoelectronic properties, the use of light-absorbing materials in…
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Keywords:
fluoro perovskites;
structural electronic;
energy;
optical characteristics ... See more keywords