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   Articles with "stability structural" as a keyword



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Phase stability and structural transitions in compositionally complex LnMO3 perovskites

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recommendations! Published in 2021 at "Journal of Solid State Chemistry"

DOI: 10.1016/j.jssc.2021.122213

Abstract: Abstract Entropy stabilised materials have possibilities for tailoring functionalities to overcome challenges in materials science. The concept of configurational entropy can also be applied to metal oxides, but it is unclear whether these could be… read more here.

Keywords: structural transitions; spectroscopy; phase stability; compositionally complex ... See more keywords
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Conformational stability and structural analysis of methanethiol clusters: a revisit

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recommendations! Published in 2021 at "RSC Advances"

DOI: 10.1039/d1ra04900c

Abstract: B3LYP/cc-pV(D/T/Q)Z and CCSD/cc-pVDZ levels of theory predict three minima for both dimers and trimers of methanethiol. read more here.

Keywords: stability structural; analysis methanethiol; clusters revisit; methanethiol clusters ... See more keywords
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The effect of oxygen impurities on the stability and structural properties of vacancy-ordered and -disordered ZrCx

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recommendations! Published in 2022 at "RSC Advances"

DOI: 10.1039/d1ra07768f

Abstract: Theoretical calculations predict several long-range ordered sub-stoichiometric zirconium carbide phases to be stable at low temperature, rather than a random (disordered solution) distribution of vacancies. However, experimental synthesis of vacancy-ordered phases is extremely challenging and… read more here.

Keywords: stability structural; structural properties; vacancy ordered; vacancy ... See more keywords
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Thermal stability and structural studies on the mixtures of Mg(BH4)2 and glymes.

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recommendations! Published in 2022 at "Dalton transactions"

DOI: 10.1039/d2dt01106a

Abstract: Coordination complexes of Mg(BH4)2 are of interest for energy storage, ranging from hydrogen storage in BH4 to electrochemical storage in Mg based batteries. Understanding the stability of these complexes is crucial since storage materials are… read more here.

Keywords: structural studies; thermal stability; stability structural; mixtures bh4 ... See more keywords