Cargando…
Arginine interactions with anatase TiO(2) (100) surface and the perturbation of (49)Ti NMR chemical shifts – a DFT investigation: relevance to Renu-Seeram bio solar cell
Density functional theoretical calculations have been utilized to investigate the interaction of the amino acid arginine with the (100) surface of anatase and the reproduction of experimentally measured (49)Ti NMR chemical shifts of anatase. Significant binding of arginine through electrostatic inte...
Autores principales: | Koch, Rainer, Lipton, Andrew S., Filipek, Slawomir, Renugopalakrishnan, Venkatesan |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
Springer-Verlag
2010
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3102192/ https://www.ncbi.nlm.nih.gov/pubmed/20853182 http://dx.doi.org/10.1007/s00894-010-0853-y |
Ejemplares similares
-
The adsorption characteristics and degradation mechanism of tinidazole on an anatase TiO(2) surface: a DFT study
por: Qin, Qiaoqiao, et al.
Publicado: (2020) -
High-Pressure Study of Anatase TiO(2)
por: Jaćimović, Jaćim, et al.
Publicado: (2010) -
QnAs with Renu Malhotra
por: Ravindran, Sandeep
Publicado: (2022) -
Relevance of Dispersion and the Electronic Spin in
the DFT + U Approach for the Description of Pristine
and Defective TiO(2) Anatase
por: Torres, Ana E., et al.
Publicado: (2021) -
A roadmap of strain in doped anatase TiO(2)
por: Kelaidis, N., et al.
Publicado: (2018)