Electronic structures and optical properties of nanoporous complex oxide 12CaO·7Al2O3 (C12A7) under high pressure
Sign Up to like & getrecommendations! Published in 2021 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2021.110456
Abstract: Abstract Mayenite (12CaO · 7Al2O3 or generally named C12A7) and its electride form (C12A7 : 4e−) have drawn intensive attention because of a variety of promising applications including display devices, catalysis, and transistors. C12A7 is… read more here.
Keywords: 12cao 7al2o3; external pressure; c12a7; pressure ... See more keywords
Effect of temperature and pressure on electronic and spectroscopic properties of CdS wurtzoid molecule: A DFT study
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DOI: 10.1016/j.ijleo.2019.05.030
Abstract: Abstract Temperature and pressure effects on cadmium Sulfide wurtzoid molecule Cd7S7 are investigated using density functional theory. This molecule is of 0.77 nm length. The investigated molecule represents the smallest cluster of atoms from wurtzoids molecules… read more here.
Keywords: wurtzoid molecule; temperature pressure; temperature; pressure electronic ... See more keywords