Exploiting Quantum Interference in Dye Sensitized Solar Cells

Autor:	Emanuele Maggio, Alessandro Troisi, Gemma C. Solomon
Rok vydání:	2013
Předmět:	Chemistry business.industry General Engineering General Physics and Astronomy Charge (physics) Antiresonance Dye-sensitized solar cell Electron transfer Semiconductor Tight binding Chemical physics Molecule General Materials Science Atomic physics business Quantum tunnelling
Zdroj:	ACS Nano. 8:409-418
ISSN:	1936-086X 1936-0851
Popis:	A strategy to hinder the charge recombination process in dye sensitized solar cells is developed in analogy with similar approaches to modulate charge transport across nanostructures. The system studied is a TiO2 (anatase)-chromophore interface, with an unsaturated carbon bridge connecting the two subunits. A theory for nonadiabatic electron transfer is employed in order to take explicitly into account the contribution from the bridge states mediating the process. If a cross-conjugated fragment is present in the bridge, it is possible to suppress the charge recombination by negative interference of the possible tunnelling path. Calculations carried out on realistic molecules at the DFT level of theory show how the recombination lifetime can be modulated by changes in the electron-withdrawing (donating) character of the groups connected to the cross-conjugated bridge. Tight binding calculations are employed to support the interpretation of the atomistic simulations.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eb2b0ea3927c96aa993c2644ee3e07ca https://doi.org/10.1021/nn4045886 Zobrazit plný text záznamu