Prediction of Electronic Properties of Radical-Containing Polymers at Coarse-Grained Resolutions
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DOI: 10.1021/acs.macromol.3c00141
Abstract: The properties of soft electronic materials depend on the coupling of electronic and conformational degrees of freedom over a wide range of spatiotemporal scales. Description of such properties requires multiscale approaches capable of, at the… read more here.
Keywords: prediction electronic; radical containing; method; electronic properties ... See more keywords
Prediction of the electronic structure of single-walled GeS nanotubes
Sign Up to like & getrecommendations! Published in 2022 at "RSC Advances"
DOI: 10.1039/d2ra04969d
Abstract: The structure and electronic properties of puckered GeS nanotubes have been investigated using first-principles density functional theory calculation. Our results show that both the armchair and zigzag GeS nanotubes are semiconductor materials with an adjustable… read more here.
Keywords: structure; prediction electronic; electronic structure; structure single ... See more keywords