Osmium sensitizer with enhanced spin-orbit coupling for panchromatic dye-sensitized solar cells

Ratna Juwita, Jian You Lin, Shi Jie Lin, Yu Chi Liu, Tsung Yu Wu, Yu Ming Feng, Chia Yuan Chen, Hui Hsu Gavin Tsai, Chun Geuy Wu

Research output: Contribution to journalArticlepeer-review

14 Scopus citations


Low-lying triplet metal-to-ligand charge transfer (3MLCT) transitions of osmium complexes induced by spin-orbit coupling (SOC) are promising for extending the photocurrent response in dye-sensitized solar cells. In this study, we present a new osmium complex (CYC-33O), incorporating a 2-thiohexyl-3,4-ethylenedioxythiophene functionalized bipyridyl ancillary ligand to red-shift the absorption and enhance the absorbance of singlet and triplet metal-to-ligand charge transfer (1MLCT and 3MLCT) transitions. Time-dependent density functional theory (TDDFT) calculations show that the reinforced 1MLCT and 3MLCT transitions of CYC-33O are mainly from osmium to the 4,4′,4′′-tricarboxy-2,2′:6′,2′′-terpyridine anchoring ligand, increasing the heterogeneous electron transfer between CYC-33O and TiO2. The device sensitized with CYC-33O exhibits panchromatic conversion beyond 1000 nm, yielding a photocurrent density of 19.38 mA cm-2, which is much higher than those of the cells based on the ruthenium analogue (CYC-33R) and model osmium complex (Os-3) sensitizers.

Original languageEnglish
Pages (from-to)12361-12369
Number of pages9
JournalJournal of Materials Chemistry A
Issue number25
StatePublished - 7 Jul 2020


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