Theoretical investigation of the charge-transfer properties in different meso-linked zinc porphyrins for highly efficient dye-sensitized solar cells
The charge transfer effect of different meso-substituted linkages on porphyrin analogue 1 (A1, B1 and C1) was theoretically investigated using density functional theory (DFT) and time-dependent DFT (TDDFT) calculations. The calculated geometry parameters and natural bond orbital analysis reveal that...
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| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Royal Society of Chemistry
2014
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| Online Access: | http://www.scopus.com/inward/record.url?eid=2-s2.0-84901686897&partnerID=40&md5=f9a2bd29bd68387373b6562b881cf7ce http://cmuir.cmu.ac.th/handle/6653943832/4803 |
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| Institution: | Chiang Mai University |
| Language: | English |