Theoretical Modeling of Electronic Excitations of Gas-Phase and Solvated TiO2Nanoclusters and Nanoparticles of Interest in Photocatalysis-Reference-Cited by-同舟云学术

Theoretical Modeling of Electronic Excitations of Gas-Phase and Solvated TiO2Nanoclusters and Nanoparticles of Interest in Photocatalysis

Published:2018-07-16 Issue:8 Volume:14 Page:4391-4404
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Valero Rosendo¹^ORCID,Morales-García Ángel¹^ORCID,Illas Francesc¹^ORCID

Affiliation:

1. Departament de Ciència de Materials i Química Física & Institut de Química Teórica i Computacional (IQTCUB), Universitat de Barcelona, c/Martí i Franquès 1, 08028, Barcelona, Spain

Funder

European Regional Development Fund

Ministerio de Econom?a y Competitividad

H2020 Research Infrastructures

Generalitat de Catalunya

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00651

Reference95 articles.

1. Surface Science Studies of the Photoactivation of TiO2New Photochemical Processes

2. Titanium Dioxide Nanomaterials: Synthesis, Properties, Modifications, and Applications

3. Visible light-activated nanosized doped-TiO2 photocatalysts

4. Photocatalytic Carbon-Nanotube-TiO2Composites

5. Electrochemical Photolysis of Water at a Semiconductor Electrode

Cited by 25 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. In Silico Study of Interactions between the Methylene Blue Molecule and the (TiO₂)₂₀ Cluster by Means of DFT Calculations;ACS Omega;2024-06-17

2. Adsorption of chemical species onto nanographenes, pristine coronene and anchored systems as coronene−(TiO2)n n=1–4: Insights from ab initio molecular dynamics calculations;Chemical Physics Impact;2024-06

3. Rationally designed oxygen vacant TiO2 decorated with covalent organic framework for enhanced electrocatalytic nitrogen reduction to ammonia;Applied Catalysis B: Environmental;2024-03

4. Strongly Bound Frenkel Excitons on TiO2 Nanoparticles: An Evolutionary and DFT Approach;International Journal of Photoenergy;2024-02-21

5. Prediction of new (TiO2)n n = 21–25 clusters by means of GA plus DFT calculations: A possible biological application;Materials Today Communications;2023-08