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Published in 2022 at "Physical Chemistry Chemical Physics"
DOI: 10.1039/d2cp00980c
Abstract: Two-dimensional (2D) hybrid sp–sp2 carbon systems are an appealing subject for science and technology. For these materials, topology and structure significantly affect electronic and vibrational properties. We investigate here by periodic density-functional theory (DFT) calculations…
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Keywords:
carbon;
properties graphdiynes;
vibrational properties;
materials beyond ... See more keywords