The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
Formic Acid Adsorption on Dry and Hydrated TiO2 Anatase (101) Surfaces by DFT Calculations
Open accessAbstract
The adsorption of formic acid and sodium formate on the stoichiometric anatase (101) surface has been studied by means of density functional calculations with a slab geometry. On the clean surface, the most stable adsorption structure for HCOOH is a molecular monodentate configuration, hydrogen bonded to a surface bridging oxygen, while for HCOONa a dissociated bridging bidentate geometry is preferred. The bidentate chelating structure is energetically unstable for both the acid and the salt. On the hydrated surface, both HCOOH and HCOONa preferentially form an inner-sphere adsorption complex. HCOOH maintains a monodentate coordination, but, due to the interaction with a nearby water molecule, it becomes dissociated, while HCOONa again prefers a bridging bidentate structure. The energies for adsorption from an aqueous solution are estimated to be 0.30 and 0.79 eV for HCOOH and HCOONa, respectively.
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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
Self-citation(1999) · Choice Reviews Online · doi:10.5860/choice.37-0940 · Cited by 14,314
Photocatalysis on TiO2 Surfaces: Principles, Mechanisms, and Selected Results
Linsebigler, A. L., Lu, G., & Yates, J. T. (1995) · Chemical Reviews · doi:10.1021/cr00035a013 · Cited by 11,575
Cited by
The surface science of titanium dioxide
Diebold, U. (2003) · Surface Science Reports · doi:10.1016/s0167-5729(02)00100-0 · Cited by 7,944
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
Self-citationThe chemistry behind catechol-based adhesion
Saiz‐Poseu, J., Mancebo‐Aracil, J., Nador, F., Busqué, F., & Ruiz‐Molina, D. (2019) · Angewandte Chemie International Edition · doi:10.1002/anie.201801063 · Cited by 850
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
Zhang, G., Kim, G., & Choi, W. (2014) · Energy & Environmental Science · doi:10.1039/c3ee43147a · Cited by 470
Metadata
- Authors
- Vittadini, A., Selloni, A., Rotzinger, F. P., & Grätzel, M.
- Venue
- The Journal of Physical Chemistry B
- Publisher
- American Chemical Society (ACS)
- Published
- 2000-01-13
- Volume
- 104
- Issue
- 6
- Pages
- 1300-1306
- ISSN
- 1520-5207 (ISSN-L)
- 1520-6106
- OpenAlex
- W2045478940
- Cited by
- 435
- References
- 3
- FWCI
- 5.29
- Type
- journal article
- Language
- en
- Open access
- green
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