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Published in 2017 at "AIP Advances"
DOI: 10.1063/1.4974745
Abstract: We performed simulations of the interaction of a graphene layer with the surface of lithium niobate utilizing density functional theory and molecular dynamics at 300K and atmospheric pressure. We found that the graphene layer is…
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Keywords:
graphene layer;
absorption reflectivity;
niobate surface;
lithium niobate ... See more keywords
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Published in 2023 at "Crystals"
DOI: 10.3390/cryst13040682
Abstract: Using density functional theory (DFT), we performed first-principles calculations of the electrical conductivity, optical absorption, and reflectivity for the 2D carbides SnC and NbC. We calculated the electronic energy band structure of the materials. We…
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Keywords:
absorption reflectivity;
optical absorption;
reflectivity;
electrical conductivity ... See more keywords