Scientific Reports · 2013 · 166 citations · 42 references
Natural SciencesChemistryMaterials ScienceElectrochemical EngineeringEnergy MaterialsPolymer ChemistryOrganic Electronic MaterialsPhotovoltaic DevicesPhotovoltaic MaterialsSolar Cell MaterialsSolar CellsSolar Photovoltaic SystemsChromophore DesignChromophore PhotochemistryChromophore StructureDesign PrinciplesDye-sensitized Solar CellsMolecular ChromophoresOrganic PhotovoltaicsPhotovoltaic Efficiency
The paradigm shift in dye sensitized solar cells (DSCs) - towards donor- π bridge-acceptor (D-π-A) dyes - increases the performances of DSCs and challenges established design principles. Framed by this shifting landscape, a series of four diketopyrrolopyrrole (DPP)-based sensitizers utilizing the donor-chromophore-anchor (D-C-A) motif were investigated computationally, spectroscopically, and fabricated by systematic evaluation of finished photovoltaic cells. In all cases, the [Co(bpy)3](3+/2+) redox-shuttle afforded superior performance compared to I3(-)/I(-). Aesthetically, careful molecular engineering of the DPP chromophore yielded the first example of a high-performance blue DSC - a challenge unmet since the inception of this photovoltaic technology: DPP17 yields over 10% power conversion efficiency (PCE) with the [Co(bpy)3](3+/2+) electrolyte at full AM 1.5 G simulated sun light.
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Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar · The Journal of Physical Chemistry B · 2009 · 17.4K citations · Full text
Natural Sciences, Chemistry, Physics +17
Density Functionals with Broad Applicability in Chemistry
Yan Zhao, Donald G. Truhlar · Accounts of Chemical Research · 2008 · 7.1K citations
Natural Sciences, Chemistry, Physics +17
Nathalie Godbout, Dennis R. Salahub, Jan Andzelm et al. · Canadian Journal of Chemistry · 1992 · 3K citations
Natural Sciences, Chemistry, Physics +14