Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 4, Issue 6, Pages 956-974Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jz302147v
Keywords
-
Categories
Funding
- FP7-NMP-2009 project [246124]
- FP7-ENERGY-2010 project [261920]
- MIUR-PRIN [2008CSNZFR]
Ask authors/readers for more resources
We present a unified overview of our recent activity on the modeling of relevant intermolecular interactions occurring in dye-sensitized solar cells (DSCs). The DSC is an inherent complex system, whose efficiency is essentially determined by the interrelated phenomena occurring at the multiple molecular semiconductor electrolyte heterointerfaces. In this Perspective, we illustrate the basic methodology and selected applications of computational modeling of dye dye and dye-coadsorbent intermolecular interactions taking place at the dye-sensitized interface. We show that the proposed methodology offers a realistic picture of aggregation phenomena among surface-adsorbed dyes and nicely describes semiconductor surfaces cosensitized by different dyes. The information acquired from this type of studies might constitute the basis for an integrated multiscale computational description of the device functioning, including all of the possible interdependencies among the device constituents, which may further boost the DSCs efficiency. We believe that this direction should be the target of future computational research in the DSC field.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available