Please use this identifier to cite or link to this item:
https://hdl.handle.net/20.500.11851/11585
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Demir, Büşra | - |
dc.contributor.author | Akın Gültakti, Çağlanaz | - |
dc.contributor.author | Köker, Zeynep | - |
dc.contributor.author | Anantram, M. P. | - |
dc.contributor.author | Ören, Ersin Emre | - |
dc.date.accessioned | 2024-06-19T14:55:32Z | - |
dc.date.available | 2024-06-19T14:55:32Z | - |
dc.date.issued | 2024 | - |
dc.identifier.issn | 1520-6106 | - |
dc.identifier.issn | 1520-5207 | - |
dc.identifier.uri | https://doi.org/10.1021/acs.jpcb.4c00445 | - |
dc.identifier.uri | https://hdl.handle.net/20.500.11851/11585 | - |
dc.description.abstract | DNA origami is a pioneering approach for producing complex 2- or 3-D shapes for use in molecular electronics due to its inherent self-assembly and programmability properties. The electronic properties of DNA origami structures are not yet fully understood, limiting the potential applications. Here, we conduct a theoretical study with a combination of molecular dynamics, first-principles, and charge transmission calculations. We use four separate single strand DNAs, each having 8 bases (4 x G(4)C(4) and 4 x A(4)T(4)), to form two different DNA nanostructures, each having two helices bundled together with one crossover. We also generated double-stranded DNAs to compare electronic properties to decipher the effects of crossovers and bundle formations. We demonstrate that density of states and band gap of DNA origami depend on its sequence and structure. The crossover regions could reduce the conductance due to a lack of available states near the HOMO level. Furthermore, we reveal that, despite having the same sequence, the two helices in the DNA origami structure could exhibit different electronic properties, and electrode position can affect the resulting conductance values. Our study provides better understanding of the electronic properties of DNA origamis and enables us to tune these properties for electronic applications such as nanowires, switches, and logic gates. | en_US |
dc.description.sponsorship | Division of Electrical, Communications and Cyber Systems; TUBITAK 2214-A International Doctoral Research Fellowship | en_US |
dc.description.sponsorship | We acknowledge using the Hyak supercomputer system at the University of Washington. Busra Demir further acknowledges a TUBITAK 2214-A International Doctoral Research Fellowship. We also acknowledge TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRUBA resources). | en_US |
dc.language.iso | en | en_US |
dc.publisher | Amer Chemical Soc | en_US |
dc.relation.ispartof | Journal of physical chemistry b | en_US |
dc.rights | info:eu-repo/semantics/openAccess | en_US |
dc.subject | Charge-transport | en_US |
dc.subject | design | en_US |
dc.title | Electronic Properties of Dna Origami Nanostructures Revealed by in Silico Calculations | en_US |
dc.type | Article | en_US |
dc.department | TOBB ETÜ | en_US |
dc.identifier.volume | 128 | en_US |
dc.identifier.issue | 19 | en_US |
dc.identifier.startpage | 4646 | en_US |
dc.identifier.endpage | 4654 | en_US |
dc.authorid | Demir, Busra/0000-0002-3911-2291 | - |
dc.authorid | Oren, Ersin Emre/0000-0001-5902-083X | - |
dc.authorid | Akin Gultakti, Caglanaz/0000-0002-0227-1002 | - |
dc.identifier.wos | WOS:001225169400001 | en_US |
dc.identifier.scopus | 2-s2.0-85193242261 | en_US |
dc.institutionauthor | Akın Gültakti, Çağlanaz | - |
dc.institutionauthor | Ören, Ersin Emre | - |
dc.identifier.pmid | 38712954 | en_US |
dc.identifier.doi | 10.1021/acs.jpcb.4c00445 | - |
dc.authorwosid | Demir, Busra/W-1919-2018 | - |
dc.authorwosid | Oren, Ersin Emre/AGQ-5958-2022 | - |
dc.authorscopusid | 57204554850 | - |
dc.authorscopusid | 59129579600 | - |
dc.authorscopusid | 58943424400 | - |
dc.authorscopusid | 6603983890 | - |
dc.authorscopusid | 35846321000 | - |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
item.openairetype | Article | - |
item.languageiso639-1 | en | - |
item.grantfulltext | none | - |
item.fulltext | No Fulltext | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.cerifentitytype | Publications | - |
crisitem.author.dept | 02.2. Department of Biomedical Engineering | - |
Appears in Collections: | PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection |
CORE Recommender
WEB OF SCIENCETM
Citations
1
checked on Dec 14, 2024
Page view(s)
94
checked on Dec 23, 2024
Google ScholarTM
Check
Altmetric
Items in GCRIS Repository are protected by copyright, with all rights reserved, unless otherwise indicated.