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Density functional calculations on the ionization potentials of (CuPc)n (n=1–6)
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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Lee, Sang Uck | - |
| dc.contributor.author | Han, Young-Kyu | - |
| dc.date.accessioned | 2022-09-05T02:43:22Z | - |
| dc.date.available | 2022-09-05T02:43:22Z | - |
| dc.date.issued | 2004-03 | - |
| dc.identifier.issn | 0166-1280 | - |
| dc.identifier.uri | https://scholarworks.bwise.kr/erica/handle/2021.sw.erica/110315 | - |
| dc.description.abstract | We use density functional theory approaches to calculate ionization potentials (IP) of copper phthalocyanine (CuPc)n (n=1-6). The IP of solid-state CuPc is estimated to be 5.01eV from the calculated molecular results. Our result is in good agreement with ultraviolet photoelectron spectroscopy and cyclic voltammetry measurements on solid-state films of CuPc. © 2003 Elsevier B.V. All rights reserved. | - |
| dc.format.extent | 4 | - |
| dc.language | 영어 | - |
| dc.language.iso | ENG | - |
| dc.publisher | Elsevier BV | - |
| dc.title | Density functional calculations on the ionization potentials of (CuPc)n (n=1–6) | - |
| dc.type | Article | - |
| dc.publisher.location | 네델란드 | - |
| dc.identifier.doi | 10.1016/j.theochem.2003.11.028 | - |
| dc.identifier.scopusid | 2-s2.0-1242284107 | - |
| dc.identifier.bibliographicCitation | Journal of Molecular Structure: THEOCHEM, v.672, no.1-3, pp 231 - 234 | - |
| dc.citation.title | Journal of Molecular Structure: THEOCHEM | - |
| dc.citation.volume | 672 | - |
| dc.citation.number | 1-3 | - |
| dc.citation.startPage | 231 | - |
| dc.citation.endPage | 234 | - |
| dc.description.isOpenAccess | N | - |
| dc.description.journalRegisteredClass | scopus | - |
| dc.subject.keywordAuthor | Copper phthalocyanine | - |
| dc.subject.keywordAuthor | Density functional calculation | - |
| dc.subject.keywordAuthor | Ionization potential | - |
| dc.subject.keywordAuthor | Organic light-emitting diode | - |
| dc.subject.keywordAuthor | Solid-state | - |
| dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S0166128003009540 | - |
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