Ab Initio Molecular Dynamics Studies of the Effect of Solvation by Room-Temperature Ionic Liquids on the Vibrational Properties of a N719-Chromophore/Titania Interface-Reference-Cited by-同舟云学术

Ab Initio Molecular Dynamics Studies of the Effect of Solvation by Room-Temperature Ionic Liquids on the Vibrational Properties of a N719-Chromophore/Titania Interface

Published:2018-11-13 Issue:46 Volume:122 Page:26464-26471
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Byrne Aaron¹,Krishnan Yogeshwaran¹,English Niall J.¹^ORCID

Affiliation:

1. School of Chemical and Bioprocess Engineering, University College Dublin, Belfield, Dublin 4, Ireland

Funder

Science Foundation Ireland

European Regional Development Fund

H2020 Marie Sklodowska-Curie Actions

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.8b08248

Reference36 articles.

1. First Principles Modeling of Eosin-Loaded ZnO Films: A Step toward the Understanding of Dye-Sensitized Solar Cell Performances

2. First-Principles Modeling of Dye-Sensitized Solar Cells: Challenges and Perspectives

3. Modeling Dye-Sensitized Solar Cells: From Theory to Experiment

4. Electrochemical Aspects of Ionic Liquids

5. Perspectives on ab initio molecular simulation of excited-state properties of organic dye molecules in dye-sensitised solar cells

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