Computational Investigation of Tuning the Electron-Donating Ability in Metal-Free Organic Dyes Featuring an Azobenzene Spacer for Dye-Sensitized Solar Cells
DC Field | Value | Language |
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dc.contributor.author | Rashid, Md Al Mamunur | - |
dc.contributor.author | Hayati, Dini | - |
dc.contributor.author | Kwak, Kyungwon | - |
dc.contributor.author | Hong, Jongin | - |
dc.date.accessioned | 2021-09-01T21:58:00Z | - |
dc.date.available | 2021-09-01T21:58:00Z | - |
dc.date.created | 2021-06-19 | - |
dc.date.issued | 2019-01 | - |
dc.identifier.issn | 2079-4991 | - |
dc.identifier.uri | https://scholar.korea.ac.kr/handle/2021.sw.korea/68472 | - |
dc.description.abstract | A series of donor-pi-conjugated spacer-acceptor (D-pi-A) organic dyes featuring an azobenzene spacer were designed as chromic dyes and investigated computationally. The electron-donating strength was modified by introducing electron-donating units to the donor side. In particular, the trans-cis isomerization of the azobenzene-based dyes and its effect on the optical and electronic properties were further scrutinized. In both trans and cis conformers, a gradual increase in electron-donating strength promoted the natural charge separation between donor and acceptor moieties, thereby allowing the absorption of a longer wavelength of visible light. Importantly, the conformational change of the azobenzene bridge resulted in different absorption spectra and light-harvesting properties. The azobenzene-based dyes will open up a new research path for chromic dye-sensitized solar cells. | - |
dc.language | English | - |
dc.language.iso | en | - |
dc.publisher | MDPI | - |
dc.subject | D-PI-A | - |
dc.subject | MOLECULAR-STRUCTURE | - |
dc.subject | PHOTOISOMERIZATION | - |
dc.subject | TRIPHENYLAMINE | - |
dc.subject | ABSORPTION | - |
dc.subject | CIS | - |
dc.subject | DFT | - |
dc.title | Computational Investigation of Tuning the Electron-Donating Ability in Metal-Free Organic Dyes Featuring an Azobenzene Spacer for Dye-Sensitized Solar Cells | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Kwak, Kyungwon | - |
dc.identifier.doi | 10.3390/nano9010119 | - |
dc.identifier.scopusid | 2-s2.0-85060731914 | - |
dc.identifier.wosid | 000459737200118 | - |
dc.identifier.bibliographicCitation | NANOMATERIALS, v.9, no.1 | - |
dc.relation.isPartOf | NANOMATERIALS | - |
dc.citation.title | NANOMATERIALS | - |
dc.citation.volume | 9 | - |
dc.citation.number | 1 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Science & Technology - Other Topics | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.relation.journalResearchArea | Physics | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.relation.journalWebOfScienceCategory | Nanoscience & Nanotechnology | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.relation.journalWebOfScienceCategory | Physics, Applied | - |
dc.subject.keywordPlus | D-PI-A | - |
dc.subject.keywordPlus | MOLECULAR-STRUCTURE | - |
dc.subject.keywordPlus | PHOTOISOMERIZATION | - |
dc.subject.keywordPlus | TRIPHENYLAMINE | - |
dc.subject.keywordPlus | ABSORPTION | - |
dc.subject.keywordPlus | CIS | - |
dc.subject.keywordPlus | DFT | - |
dc.subject.keywordAuthor | Dye-sensitized solar cell (DSSC) | - |
dc.subject.keywordAuthor | time-dependent density functional theory (TDDFT) | - |
dc.subject.keywordAuthor | donor-pi-conjugated spacer-acceptor (D-pi-A) azobenzene-based dyes | - |
dc.subject.keywordAuthor | intramolecular charge transfer | - |
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