DC Field | Value | Language |
---|---|---|
dc.contributor.author | Jeon, Jiwon | ko |
dc.contributor.author | Park, Young-Choon | ko |
dc.contributor.author | Han, Sang Soo | ko |
dc.contributor.author | Goddard, William A., III | ko |
dc.contributor.author | Lee, Yoon-Sup | ko |
dc.contributor.author | Kim, Hyung-Jun | ko |
dc.date.accessioned | 2015-04-07T02:44:48Z | - |
dc.date.available | 2015-04-07T02:44:48Z | - |
dc.date.created | 2015-02-05 | - |
dc.date.created | 2015-02-05 | - |
dc.date.issued | 2014-12 | - |
dc.identifier.citation | JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.5, no.24, pp.4285 - 4290 | - |
dc.identifier.issn | 1948-7185 | - |
dc.identifier.uri | http://hdl.handle.net/10203/195130 | - |
dc.description.abstract | During the light-harvesting process of dye-sensitized solar cells (DSSCs), the hole localized on the dye after the charge separation yields an oxidized dye, D+. The fast regeneration of D+ using the redox pair (typically the I-/I-3(-) couple) is critical for the efficient DSSCs. However, the kinetic processes of dye regeneration remain uncertain, still promoting vigorous debates. Here, we use molecular dynamics simulations to determine that the inner-sphere electron-transfer pathway provides a rapid dye regeneration route of similar to 4 ps, where penetration of I- next to D+ enables an immediate electron transfer, forming a kinetic barrier. This explains the recently reported ultrafast dye regeneration rate of a few picoseconds determined experimentally. We expect that our MD based comprehensive understanding of the dye regeneration mechanism will provide a helpful guideline in designing TiO2-dye-electrolyte interfacial systems for better performing DSSCs. | - |
dc.language | English | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.subject | SPHERE ELECTRON-TRANSFER | - |
dc.subject | TIO2 FILMS | - |
dc.subject | AB-INITIO | - |
dc.subject | IODIDE | - |
dc.subject | DYNAMICS | - |
dc.subject | EFFICIENCY | - |
dc.subject | INJECTION | - |
dc.subject | OXIDATION | - |
dc.subject | COST | - |
dc.title | Rapid Dye Regeneration Mechanism of Dye-Sensitized Solar Cells | - |
dc.type | Article | - |
dc.identifier.wosid | 000346759700010 | - |
dc.identifier.scopusid | 2-s2.0-84918772966 | - |
dc.type.rims | ART | - |
dc.citation.volume | 5 | - |
dc.citation.issue | 24 | - |
dc.citation.beginningpage | 4285 | - |
dc.citation.endingpage | 4290 | - |
dc.citation.publicationname | JOURNAL OF PHYSICAL CHEMISTRY LETTERS | - |
dc.identifier.doi | 10.1021/jz502197b | - |
dc.contributor.localauthor | Lee, Yoon-Sup | - |
dc.contributor.localauthor | Kim, Hyung-Jun | - |
dc.contributor.nonIdAuthor | Han, Sang Soo | - |
dc.contributor.nonIdAuthor | Goddard, William A., III | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | SPHERE ELECTRON-TRANSFER | - |
dc.subject.keywordPlus | TIO2 FILMS | - |
dc.subject.keywordPlus | AB-INITIO | - |
dc.subject.keywordPlus | IODIDE | - |
dc.subject.keywordPlus | DYNAMICS | - |
dc.subject.keywordPlus | EFFICIENCY | - |
dc.subject.keywordPlus | INJECTION | - |
dc.subject.keywordPlus | OXIDATION | - |
dc.subject.keywordPlus | COST | - |
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