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Published in 2018 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2018.10.005
Abstract: Abstract The electronic and structural properties of the four copolymers, PBDPQU, PBDPBT, PBDPDPP, and PBDPTP, are investigated by density functional theory and time-dependent density functional theory. The research purpose is to rationalize the relationship between…
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Keywords:
electronic structures;
effects electronic;
photovoltaic performances;
benzodithiophene based ... See more keywords