Modelling natural dye molecules lawsone and purpurin in different solvents for DSSC applications: a DFT and TD-DFT study

Subjects

Subjects :

General Chemical Engineering
Modeling and Simulation
General Materials Science
General Chemistry
Condensed Matter Physics
Information Systems

Details

ISSN :

10290435 and 08927022

Volume :

48

Database :

OpenAIRE

Journal :

Molecular Simulation

Accession number :

edsair.doi...........0dfac3ff9df3ea6ccde3a7739c708424

Full Text :

https://doi.org/10.1080/08927022.2022.2053120