@article {Verdi2014,
	title = {Alignment of energy levels in dye/semiconductor interfaces by GW calculations: Effects due to coadsorption of solvent molecules},
	journal = {Physical review. B, Condensed matter and materials physics (Online)},
	volume = {90},
	year = {2014},
	publisher = {American Physical Society,},
	address = {College Park, Md.},
	abstract = {The performance of dye-sensitized solar cells is tightly linked to the relative energy level alignment of its constituents. In this paper the electronic properties of a model of dye-sensitized solar cell are studied by accurate first-principle calculations taking into account many-body effects beyond density-functional theory. The cell model includes one layer of co-adsorbed solvent (water or acetonitrile) molecules. Solvent molecules induce an upwards energy shift in the TiO2 bands; such a shift is larger in the case of acetonitrile. The accurate determination of the energy levels allows the theoretical estimation of the maximum attainable open circuit voltage (Voc).},
	issn = {1550-235X},
	doi = {10.1103/PhysRevB.90.155410},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84908032284&partnerID=q2rCbXpz},
	author = {Verdi, C. and Mosconi , E. and De Angelis, F. and Marsili, M. and Umari, P.}
}
