In silico design of 2D polymers containing truxene-based platforms: insights into their structural and electronic properties
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DOI: 10.1039/d0tc03139a
Abstract: In the present work, we investigate at the density functional theory (DFT) level, two-dimensional (2D) conjugated polymers based on C3-symmetric truxene-based cores. In total, 27 different 2D polymers have been exhaustively studied with the aim… read more here.
Keywords: polymers containing; silico design; electronic properties; truxene ... See more keywords