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Published in 2020 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2020.137538
Abstract: Abstract In this work, the structural stability, mechanical, electronic and optical properties of vacancy-ordered double perovskites Cs2TeX6 (X = Cl, Br, I) were investigated by using first-principles calculations. Our calculated results show that these perovskite materials exhibit…
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Keywords:
ordered double;
properties vacancy;
optical properties;
electronic optical ... See more keywords
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Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.2c02171
Abstract: The structures and magnetic properties of the Os4+ (5d4) halides K2OsCl6, K2OsBr6, Na2OsBr6, and Na2OsBr6·6H2O are described. K2OsCl6 and K2OsBr6 have a cubic vacancy-ordered double perovskite structure but undergo different symmetry-lowering structural phase transitions upon…
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Keywords:
na2osbr6 6h2o;
magnetic properties;
properties vacancy;
vacancy ordered ... See more keywords
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Published in 2021 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.0c10925
Abstract: Lead-based perovskites have achieved excellent photovoltaic efficiencies in the last decade, but key intrinsic issues related to their instability and Pb toxicity need to be overcome for their succ...
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Keywords:
properties vacancy;
ordered bismuth;
structural electronic;
vacancy ordered ... See more keywords