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Quantum Chemical Study of Photoinjection Processes in Dye-Sensitized TiO2 Nanoparticles
Abstract
Results from quantum chemical INDO/S-CI calculations of the absorption properties of anatase TiO 2 nanoparticles sensitized by catechol and benzoic acid are reported. Experimental observations that catechol causes a strong shift in the TiO 2 absorption threshold, while benzoic acid does not, are explained from the calculations which indicate that only catechol introduces electronic levels in the TiO 2 band gap. The 420 nm excitation in the TiO 2 + catechol system responsible for the shift is seen to be a charge-transfer excitation from the catechol π HOMO orbital to Ti(3d) levels at the bottom of the conduction band. A direct photoinjection scheme which does not involve excited states of the adsorbate is proposed to account for the electron injection process.
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Citations
Cites
A low-cost, high-efficiency solar cell based on dye-sensitized colloidal TiO2 films
O'Regan, B., & Grätzel, M. (1991) · Nature · doi:10.1038/353737a0 · Cited by 28,599
Cited by
Nazeeruddin, M. K., De Angelis, F., Fantacci, S., Selloni, A., Viscardi, G., Liska, P., Ito, S., Takeru, B., & Grätzel, M. (2005) · Journal of the American Chemical Society · doi:10.1021/ja052467l · Cited by 2,749
Bioinspired catecholic chemistry for surface modification
Ye, Q., Zhou, F., & Liu, W. (2011) · Chemical Society Reviews · doi:10.1039/c1cs15026j · Cited by 1,177
Photoinduced charge transfer processes in solar photocatalysis based on modified TiO 2
Park, H., Kim, H.-I., Moon, G.-H., & Choi, W. (2016) · Energy & Environmental Science · doi:10.1039/c5ee02575c · Cited by 582
Theoretical Studies of Photoinduced Electron Transfer in Dye-Sensitized TiO2
Duncan, W. R., & Prezhdo, O. V. (2007) · Annual Review of Physical Chemistry · doi:10.1146/annurev.physchem.58.052306.144054 · Cited by 580
Linkers for anchoring sensitizers to semiconductor nanoparticles
Galoppini, E. (2004) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2004.03.016 · Cited by 417
Metadata
- Authors
- Persson, P., Bergström, R., & Lunell, S.
- Venue
- The Journal of Physical Chemistry B
- Publisher
- American Chemical Society (ACS)
- Published
- 2000-10-14
- Volume
- 104
- Issue
- 44
- Pages
- 10348-10351
- ISSN
- 1520-5207 (ISSN-L)
- 1520-6106
- OpenAlex
- W1998967015
- Cited by
- 355
- References
- 1
- FWCI
- 4.41
- Type
- journal article
- Language
- en
- Open access
- closed
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