Articles with "principles investigations" as a keyword



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First-Principles Investigations on Sodium Superionic Conductor Na11Sn2PS12

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Published in 2019 at "Chemistry of Materials"

DOI: 10.1021/acs.chemmater.8b04965

Abstract: Sodium superionic conductors are key components of solid-state sodium ion batteries, which are regarded as promising alternative energy storage options for large-scale application. Recently, a new ... read more here.

Keywords: conductor na11sn2ps12; investigations sodium; principles investigations; first principles ... See more keywords
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First-principles investigations of the atomic structure and magnetic properties of Ni and Co films on Cu substrate

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Published in 2017 at "Lobachevskii Journal of Mathematics"

DOI: 10.1134/s1995080217050225

Abstract: Paper considers magnetic properties of the transition metals at nanoscale level, the total energies of the several collinear spin-configurations are calculated by using VASP software package. Energy of the film formation and the magnetic moment… read more here.

Keywords: atomic structure; magnetic properties; investigations atomic; principles investigations ... See more keywords