Browsing by Subject "density functional theory"
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Inspection of Excited State Properties in Defected Carbon Nanotubes from Multiple Exciton Generation to Defect-Defect Interactions
(North Dakota State University, 2020)Covalent SP3-hybridization defects in single-walled carbon nanotubes (CNTs) have been prevalent in recent experimental and theoretical studies for their interesting photophysical properties. These systems are able to act ...