Cargando…

The adsorption characteristics and degradation mechanism of tinidazole on an anatase TiO(2) surface: a DFT study

The adsorption characteristics and degradation mechanism of tinidazole on TiO(2)(101) and (001) surfaces under vacuum and aqueous solution conditions were studied by density functional theory (DFT). The results show that tinidazole can adsorb on the surfaces of TiO(2)(101) and (001) under different...

Descripción completa

Detalles Bibliográficos
Autores principales:	Qin, Qiaoqiao, Qin, Haichuan, Li, Kai, Tan, Ruolan, Liu, Xiangyang, Li, Laicai
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2020
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9048433/ https://www.ncbi.nlm.nih.gov/pubmed/35494564 http://dx.doi.org/10.1039/c9ra06665a

Ejemplares similares

Theoretical study of the adsorption characteristics and the environmental influence of ornidazole on the surface of photocatalyst TiO(2)
por: Tan, Ruolan, et al.
Publicado: (2019)

Adsorption Property of CS(2) and COF(2) on Nitrogen-Doped Anatase TiO(2)(101) Surfaces: A DFT Study
por: Cao, Zhengqin, et al.
Publicado: (2020)

Anatase TiO(2) adsorption on 3-aminopropyltrimethoxysilane-modified Al or glass surfaces
por: Kaneko, Masayoshi
Publicado: (2019)

DFT Modeling of CO(2) Adsorption and HCOO(•) Group Conversion in Anatase Au-TiO(2)-Based Photocatalysis
por: Wu, Feitong, et al.
Publicado: (2022)

Photoinduced Adsorption and Oxidation of SO(2) on Anatase TiO(2)(101)
por: Langhammer, David, et al.
Publicado: (2020)

Effect of Ru, Rh, Mo, and Pd Adsorption on the Electronic and Optical Properties of Anatase TiO(2)(101): A DFT Investigation
por: Gao, Peng, et al.
Publicado: (2019)

The effect of blood protein adsorption on cellular uptake of anatase TiO(2) nanoparticles
por: Allouni, Zouhir E, et al.
Publicado: (2015)

Creating Excess Electrons at the Anatase TiO(2)(101) Surface
por: Payne, D. T., et al.
Publicado: (2016)

DFT Study of Methylene Blue Adsorption on ZnTiO(3) and TiO(2) Surfaces (101)
por: Jaramillo-Fierro, Ximena, et al.
Publicado: (2021)

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)

Elucidating NO(x) Surface Chemistry at the Anatase (101) Surface in TiO(2) Nanoparticles
por: Mino, Lorenzo, et al.
Publicado: (2022)

Low-Temperature Synthesis of Anatase TiO(2) Nanoparticles with Tunable Surface Charges for Enhancing Photocatalytic Activity
por: Li, Ye, et al.
Publicado: (2014)

High-Pressure Study of Anatase TiO(2)
por: Jaćimović, Jaćim, et al.
Publicado: (2010)

Evaluation of Surface State Mediated Charge Recombination in Anatase and Rutile TiO(2)
por: Sachs, Michael, et al.
Publicado: (2016)

Screening Doping Strategies To Mitigate Electron Trapping at Anatase TiO(2) Surfaces
por: Carey, John J., et al.
Publicado: (2019)

d-Glucose Adsorption on the TiO(2) Anatase (100) Surface: A Direct Comparison Between Cluster-Based and Periodic Approaches
por: Butera, Valeria, et al.
Publicado: (2021)

A roadmap of strain in doped anatase TiO(2)
por: Kelaidis, N., et al.
Publicado: (2018)

Investigating Polaron Formation in Anatase and Brookite TiO(2) by Density Functional Theory with Hybrid-Functional and DFT + U Methods
por: De Lile, Jeffrey Roshan, et al.
Publicado: (2019)

Anatase TiO(2) Nanoparticles with Exposed {001} Facets for Efficient Dye-Sensitized Solar Cells
por: Chu, Liang, et al.
Publicado: (2015)

The Use of Iron-Doped Anatase TiO(2) Nanofibers for Enhanced Photocatalytic Fenton-like Reaction to Degrade Tylosin
por: Wang, Xiao, et al.
Publicado: (2023)

N-Rich Doped Anatase TiO(2) with Smart Defect Engineering as Efficient Photocatalysts for Acetaldehyde Degradation
por: Wei, Mingzhuo, et al.
Publicado: (2022)

Differentiating surface titanium chemical states of anatase TiO(2) functionalized with various groups
por: Peng, Yung-Kang, et al.
Publicado: (2018)

Facet-Dependent Diol-Induced Density of States of Anatase TiO(2) Crystal Surface
por: Chamtouri, Maha, et al.
Publicado: (2017)

First-principles study on transition metal-doped anatase TiO(2)
por: Wang, Yaqin, et al.
Publicado: (2014)

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
por: Koch, Rainer, et al.
Publicado: (2010)

Phase stability frustration on ultra-nanosized anatase TiO(2)
por: Patra, Snehangshu, et al.
Publicado: (2015)

Methanol on Anatase TiO(2) (101): Mechanistic Insights into Photocatalysis
por: Setvin, Martin, et al.
Publicado: (2017)

Defect processes in F and Cl doped anatase TiO(2)
por: Filippatos, Petros-Panagis, et al.
Publicado: (2019)

Chemical Modification of Polaronic States in Anatase TiO(2)(101)
por: Tanner, Alex J., et al.
Publicado: (2021)

Carbon Black-Doped Anatase TiO(2) Nanorods for Solar Light-Induced Photocatalytic Degradation of Methylene Blue
por: Li, Wenjuan, et al.
Publicado: (2020)

The Acute Liver Injury in Mice Caused by Nano-Anatase TiO(2)
por: Ma, Linglan, et al.
Publicado: (2009)

Fabrication of Anatase TiO(2)/PVDF Composite Membrane for Oil-in-Water Emulsion Separation and Dye Photocatalytic Degradation
por: Li, Chengcai, et al.
Publicado: (2023)

Water Multilayers on TiO(2) (101) Anatase Surface: Assessment of a DFTB-Based Method
por: Selli, Daniele, et al.
Publicado: (2017)

Interaction of biomolecules with anatase, rutile and amorphous TiO(2) surfaces: A molecular dynamics study
por: Tarjányi, Tamás, et al.
Publicado: (2023)

Self-hydrogenated shell promoting photocatalytic H(2) evolution on anatase TiO(2)
por: Lu, Yue, et al.
Publicado: (2018)

Heterophase Polymorph of TiO(2) (Anatase, Rutile, Brookite, TiO(2) (B)) for Efficient Photocatalyst: Fabrication and Activity
por: Eddy, Diana Rakhmawaty, et al.
Publicado: (2023)

Water Dissociates at the Aqueous Interface with Reduced Anatase TiO(2) (101)
por: Nadeem, Immad M., et al.
Publicado: (2018)

Nd/TiO(2) Anatase-Brookite Photocatalysts for Photocatalytic Decomposition of Methanol
por: Kočí, Kamila, et al.
Publicado: (2018)

Strongly bound excitons in anatase TiO(2) single crystals and nanoparticles
por: Baldini, E., et al.
Publicado: (2017)

Mechanisms of sodiation in anatase TiO(2) in terms of equilibrium thermodynamics and kinetics
por: Tong, Zhongqiu, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_rff6cel5r4e7ecssstq2278j02