Substituent effects on the electronic structures and nonlinear optical properties of Li-doped nano-carbon bowl
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DOI: 10.1007/s00894-017-3486-6
Abstract: A series of Li-corannulene-(NH2)n and Li-corannulene-(NO2)n (n = 1, 2, 5) compounds have been theoretically designed and investigated using density functional theory. In this work, two models are systematically investigated to explore the important factors for enhancing… read more here.
Keywords: corannulene nh2; nonlinear optical; corannulene; substitution group ... See more keywords