Density functional theory study of α-cyanoacrylic acid adsorbed on rutile TiO2(1 1 0) surface
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- Type
- article
- Published
- 2016-11-01
- Cited by
- 5
- References
- 77
- OpenAlex
- https://openalex.org/W2523742199
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:100456087
Keywords
Rutile, Chemistry, Adsorption, Density functional theory, Moiety
References
- Photoelectrochemical cells
- Low Work-function Poly(3,4-ethylenedioxylenethiophene): Poly(styrene sulfonate) as Electron-transport Layer for High-efficient and Stable Polymer Solar Cells
- The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO2: A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approximation
- Unique adsorption behaviors of carboxylic acids at rutile TiO 2 (110)
- Interaction of carboxylic acids with rutile TiO2(110): IR-investigations of terephthalic and benzoic acid adsorbed on a single crystal substrate
- Revisiting the (110) surface structure of TiO 2 : A theoretical analysis
- Adsorption Configurations and Reactions of Nitric Acid on TiO2 Rutile (110) and Anatase (101) surfaces
- A density functional theory study of atomic steps on stoichiometric rutile TiO2(110).
- Geometric structure of Ti O2 (110) (1×1): Achieving experimental consensus
- Structural and Electronic Properties of Selected Rutile and Anatase TiO2 Surfaces: An ab Initio Investigation.
- A low-cost, high-efficiency solar cell based on dye-sensitized colloidal TiO2 films
- Low energy electron diffraction and electron spectroscopy studies of the clean (110) and (100) titanium dioxide (rutile) crystal surfaces
- Adsorption and dissociation of ammonia on clean and metal-covered TiO2 rutile (110) surfaces: A comparative DFT study
- Dithienylthienothiadiazole-based organic dye containing two cyanoacrylic acid anchoring units for dye-sensitized solar cells
- The rutile TiO2 (110) surface: obtaining converged structural properties from first-principles calculations.
- Infra-red studies of rutile surfaces. Part 2.—Hydroxylation, hydration and structure of rutile surfaces
- The influence of soft vibrational modes on our understanding of oxide surface structure
- Interaction of organic molecules with the TiO2 (110) surface: ab inito calculations and classical force fields.
- High-efficiency dye-sensitized solar cells: the influence of lithium ions on exciton dissociation, charge recombination, and surface states.
- Ultraviolet photoemission and low-energy-electron diffraction studies of Ti O 2 (rutile) (001) and (110) surfaces
Cited by
- A novel strategy for SOx removal by N-doped TiO2/WSe2 nanocomposite as a highly efficient molecule sensor investigated by van der Waals corrected DFT
- Molecular design of O3 and NO2 sensor devices based on a novel heterostructured N-doped TiO2/ZnO nanocomposite: a van der Waals corrected DFT study
- The role of electronic donor moieties in porphyrin dye sensitizers for solar cells: Electronic structures and excitation related properties
- Investigation of the adsorption mechanism of an eco-friendly surfactant LMAC on rutile surface: A novel insight
- Efficient flotation of sodium lauroyl sarcosinate on Pb2+-modified rutile surface: experimental study and DFT calculation
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