Articles with "dft characteristics" as a keyword



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DFT Characteristics of Charge Transport in DBTP-Based Hole Transport Materials

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Published in 2019 at "Applied Sciences"

DOI: 10.3390/app9112244

Abstract: To improve the hole-transport ability and photoelectric properties of perovskite solar cells, the ground-state geometry, frontier molecular orbital, and mobility of two organic molecules were investigated using density functional theory (DFT) with the Marcus hopping… read more here.

Keywords: transport dbtp; dft characteristics; transport; charge transport ... See more keywords