Diverse structural and electronic properties of pentagonal SiC2 nanoribbons: A first-principles study
Sign Up to like & getrecommendations! Published in 2021 at "Materials today communications"
DOI: 10.1016/j.mtcomm.2021.102047
Abstract: Abstract Through the first-principles calculations, a generalized theoretical framework is used to systematically investigate the structural and electronic properties of the buckled SiC2 pentagon-based nanoribbons (p-SiC2 nanoribbons), including the formation energies, optimal structural parameters, phonon… read more here.
Keywords: sic2 nanoribbons; first principles; structural electronic; ribbon ... See more keywords
Sensing capabilities of the sawtooth penta-SiC2 nanoribbon for CO2 and CO molecules based on variations in molecular density: insights from a DFT investigation
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DOI: 10.1039/d5ra02502h
Abstract: Using Density Functional Theory (DFT) simulations, we explore the gas-sensing capabilities of the sawtooth penta-SiC2 nanoribbon (p-SiC2-SS) for CO2 and CO molecules under varying concentrations. Our findings reveal that CO2 is significantly more difficult to… read more here.
Keywords: sensing capabilities; capabilities sawtooth; sic2; co2 ... See more keywords