Publication: Multiple bipolaron formation in oligothiophenes
| dc.contributor.department | Department of Chemistry | |
| dc.contributor.kuauthor | Yurtsever, İsmail Ersin | |
| dc.contributor.kuprofile | Faculty Member | |
| dc.contributor.other | Department of Chemistry | |
| dc.contributor.schoolcollegeinstitute | College of Sciences | |
| dc.contributor.yokid | 7129 | |
| dc.date.accessioned | 2024-11-09T22:58:33Z | |
| dc.date.issued | 1999 | |
| dc.description.abstract | Semi-empirical calculations on large oligomers of thiophene containing up to 24 monomer units are carried out. The geometry of neutral as well as highly oxidized structures with charges of +2, +4, and +6 are optimized in order to understand the charge localization in the absence of counter ions. The bond length alternation in the polymer backbone is shown to provide a useful tool for studying bipolaron formation. The effects of defects such as branches, alpha-beta bondings or deviations from planarity on the structures of oxidized forms are investigated. The bipolarons are found to spread over six monomer units. Defects disturb the bipolaron formation and possibly impede the mobility of them. | |
| dc.description.indexedby | WoS | |
| dc.description.indexedby | Scopus | |
| dc.description.issue | 3 | |
| dc.description.openaccess | NO | |
| dc.description.publisherscope | International | |
| dc.description.sponsoredbyTubitakEu | N/A | |
| dc.description.volume | 105 | |
| dc.identifier.doi | 10.1016/S0379-6779(99)00102-2 | |
| dc.identifier.issn | 0379-6779 | |
| dc.identifier.quartile | Q2 | |
| dc.identifier.scopus | 2-s2.0-0032648373 | |
| dc.identifier.uri | http://dx.doi.org/10.1016/S0379-6779(99)00102-2 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.14288/7743 | |
| dc.identifier.wos | 82149400005 | |
| dc.keywords | Polythiophene | |
| dc.keywords | Bipolarons | |
| dc.keywords | Defects | |
| dc.language | English | |
| dc.publisher | Elsevier Science Sa | |
| dc.source | Synthetic Metals | |
| dc.subject | Materials sciences | |
| dc.subject | Multidisciplinary design optimization | |
| dc.subject | Physics | |
| dc.subject | Condensed matter | |
| dc.subject | Polymers | |
| dc.title | Multiple bipolaron formation in oligothiophenes | |
| dc.type | Journal Article | |
| dspace.entity.type | Publication | |
| local.contributor.authorid | 0000-0001-9245-9596 | |
| local.contributor.kuauthor | Yurtsever, İsmail Ersin | |
| relation.isOrgUnitOfPublication | 035d8150-86c9-4107-af16-a6f0a4d538eb | |
| relation.isOrgUnitOfPublication.latestForDiscovery | 035d8150-86c9-4107-af16-a6f0a4d538eb |