Intuitive and Efficient Approach to Determine the Band Structure of Covalent Organic Frameworks from Their Chemical Constituents
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DOI: 10.1021/acs.jctc.3c01302
Abstract: The optical, electronic, and (photo) catalytic properties of covalent organic frameworks (COFs) are largely determined by their electronic structure and, specifically, by their Frontier conduction and valence bands (VBs). In this work, we establish a… read more here.
Keywords: structure; efficient approach; covalent organic; intuitive efficient ... See more keywords