{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,10]],"date-time":"2026-02-10T20:01:46Z","timestamp":1770753706236,"version":"3.50.0"},"reference-count":47,"publisher":"MDPI AG","issue":"2","license":[{"start":{"date-parts":[[2023,2,14]],"date-time":"2023-02-14T00:00:00Z","timestamp":1676332800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Symmetry"],"abstract":"<jats:p>Peptide nanotubes (PNT) of diphenylalanine (FF) have attracted considerable attention from researchers in the last decades. The chirality of FF monomers determines the kinetics of PNTs\u2019 self-assembly and their morphology. The helical symmetry of PNTs causes significant intrinsic polarization and endows them with a unique combination of mechanical, electronic, and optical properties, as well as a strong piezoelectric effect useful for various applications. In this work, we used a combination of computer modeling and quantum chemical calculations to study the photoelectronic properties of FF PNTs of different chiralities. Using semiempirical methods implemented in the HyperChem and MOPAC packages, we calculated HOMO and LUMO energy levels and a band gap and their variations under the action of external and internal electric fields. We demonstrated that the photoelectronic properties of l- and d-FF PNTs are slightly different and may be related to the intrinsic electric field arising due to the internal polarization. The band gap of FF PNTs is within the ultraviolet range (400\u2013250 nm) and can be tuned by an external electric field. These results open a way to create FF PNT-based solar-blind ultraviolet photodetectors and other electro-optic and electronic devices.<\/jats:p>","DOI":"10.3390\/sym15020504","type":"journal-article","created":{"date-parts":[[2023,2,14]],"date-time":"2023-02-14T02:41:56Z","timestamp":1676342516000},"page":"504","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":10,"title":["Photoelectronic Properties of Chiral Self-Assembled Diphenylalanine Nanotubes: A Computational Study"],"prefix":"10.3390","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-1487-9469","authenticated-orcid":false,"given":"Vladimir","family":"Bystrov","sequence":"first","affiliation":[{"name":"Institute of Mathematical Problems of Biology\u2014Branch of Keldysh Institute of Applied Mathematics, Russian Academy of Sciences, 142290 Pushchino, Russia"}]},{"given":"Ekaterina","family":"Paramonova","sequence":"additional","affiliation":[{"name":"Institute of Mathematical Problems of Biology\u2014Branch of Keldysh Institute of Applied Mathematics, Russian Academy of Sciences, 142290 Pushchino, Russia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3895-4785","authenticated-orcid":false,"given":"Pavel","family":"Zelenovskii","sequence":"additional","affiliation":[{"name":"Department of Physics & CICECO-Aveiro Institute of Materials, University of Aveiro, 3810-193 Aveiro, Portugal"},{"name":"School of Natural Sciences and Mathematics, Ural Federal University, 620000 Ekaterinburg, Russia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3347-8628","authenticated-orcid":false,"given":"Svitlana","family":"Kopyl","sequence":"additional","affiliation":[{"name":"Department of Physics & CICECO-Aveiro Institute of Materials, University of Aveiro, 3810-193 Aveiro, Portugal"}]},{"given":"Hong","family":"Shen","sequence":"additional","affiliation":[{"name":"Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai 200083, China"}]},{"given":"Tie","family":"Lin","sequence":"additional","affiliation":[{"name":"Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai 200083, China"}]},{"given":"Vladimir","family":"Fridkin","sequence":"additional","affiliation":[{"name":"Shubnikov Institute of Crystallography, Federal Scientific Research Center \u201cCrystallography and Photonics\u201d of Russian Academy of Sciences, 119333 Moscow, Russia"}]}],"member":"1968","published-online":{"date-parts":[[2023,2,14]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"3436","DOI":"10.1039\/D1CS01179K","article-title":"Possible chemical and physical scenarios towards biological homochirality","volume":"51","author":"Sallembien","year":"2022","journal-title":"Chem. 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