Hydration Dependent Band Gap Tunability of Self-Assembled Phenylalanine-Tryptophan Nanotubes

28 July 2020, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

In this work, we investigate the effects of building block separation of Phenylalanine-Tryptophan nanotube induced by the confined water molecules on the electronic properties using density-functional theory based tight-binding method.

Keywords

peptide nanotubes
DFTB 3 Method
band gap tunability
Confined Water Chain
Stacking Boundaries

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