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Hydration Dependent Band Gap Tunability of Self-Assembled Phenylalanine-Tryptophan Nanotubes
ChemRxiv Pub Date : 2020-07-28 , DOI: 10.26434/chemrxiv.12720695.v1 Hugo Souza , Antonio Chaves Neto , Francisco Sousa , Rodrigo Amorim , Alexandre Reily Rocha , Tarciso Andrade-Filho 1
ChemRxiv Pub Date : 2020-07-28 , DOI: 10.26434/chemrxiv.12720695.v1 Hugo Souza , Antonio Chaves Neto , Francisco Sousa , Rodrigo Amorim , Alexandre Reily Rocha , Tarciso Andrade-Filho 1
Affiliation
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.
中文翻译:
自组装苯丙氨酸色氨酸纳米管的水合带隙可调谐性。
在这项工作中,我们使用基于密度泛函理论的紧密结合方法,研究了受限水分子诱导的苯丙氨酸-色氨酸纳米管结构单元分离对电子性能的影响。
更新日期:2020-07-28
中文翻译:
自组装苯丙氨酸色氨酸纳米管的水合带隙可调谐性。
在这项工作中,我们使用基于密度泛函理论的紧密结合方法,研究了受限水分子诱导的苯丙氨酸-色氨酸纳米管结构单元分离对电子性能的影响。