Dye-sensitized solar cells
At the end of last century, the possibility to use devices based on molecular components for
the construction of a robust large-scale solar electricity production facility seemed utopic. But …
the construction of a robust large-scale solar electricity production facility seemed utopic. But …
First-principles modeling of dye-sensitized solar cells: challenges and perspectives
F Labat, T Le Bahers, I Ciofini… - Accounts of chemical …, 2012 - ACS Publications
Since dye-sensitized solar cells (DSSCs) appeared as a promising inexpensive alternative
to the traditional silicon-based solar cells, DSSCs have attracted a considerable amount of …
to the traditional silicon-based solar cells, DSSCs have attracted a considerable amount of …
A qualitative index of spatial extent in charge-transfer excitations
T Le Bahers, C Adamo, I Ciofini - Journal of chemical theory and …, 2011 - ACS Publications
With the aim of defining the spatial extent associated to an electronic transition, of particular
relevance in the case of charge-transfer (CT) excitations, a new index, evaluated only from …
relevance in the case of charge-transfer (CT) excitations, a new index, evaluated only from …
The Harvard clean energy project: large-scale computational screening and design of organic photovoltaics on the world community grid
J Hachmann, R Olivares-Amaya… - The Journal of …, 2011 - ACS Publications
This Perspective introduces the Harvard Clean Energy Project (CEP), a theory-driven search
for the next generation of organic solar cell materials. We give a broad overview of its setup …
for the next generation of organic solar cell materials. We give a broad overview of its setup …
What is the “best” atomic charge model to describe through-space charge-transfer excitations?
We investigate the efficiency of several partial atomic charge models (Mulliken, Hirshfeld,
Bader, Natural, Merz–Kollman and ChelpG) for investigating the through-space charge …
Bader, Natural, Merz–Kollman and ChelpG) for investigating the through-space charge …
A computational investigation of organic dyes for dye-sensitized solar cells: benchmark, strategies, and open issues
A comprehensive theoretical study on the electronic absorption spectra of a representative
group of organic dyes (L0, D4, D5, C217, and JK2) employed in dye-sensitized solar cell …
group of organic dyes (L0, D4, D5, C217, and JK2) employed in dye-sensitized solar cell …
Through-space charge transfer in rod-like molecules: lessons from theory
Time-dependent density functional theory calculations are performed within a range-
separated hybrid framework to quantify the efficiency of through-space charge transfer (CT) …
separated hybrid framework to quantify the efficiency of through-space charge transfer (CT) …
Well-aligned arrays of vertically oriented ZnO nanowires electrodeposited on ITO-coated glass and their integration in dye sensitized solar cells
We report on the effects of post-growth hydrothermal treatment and thermal annealing on
properties of vertically aligned ZnO nanowires arrays (NWs). The samples were …
properties of vertically aligned ZnO nanowires arrays (NWs). The samples were …
Aggregation of Organic Dyes on TiO2 in Dye-Sensitized Solar Cells Models: An ab Initio Investigation
M Pastore, F De Angelis - ACS nano, 2010 - ACS Publications
A density functional theory (DFT), time-dependent DFT, and ab initio second order Møller−
Plesset perturbation theory study of the aggregation of the metal free indoline D102 and …
Plesset perturbation theory study of the aggregation of the metal free indoline D102 and …
Highly efficient dye-sensitized solar cell with a ZnO nanosheet-based photoanode
Zinc oxide (ZnO) nanosheets (ZnO-NS) were prepared for the photoanode of a dye-
sensitized solar cell (DSSC), first by directly growing layered hydroxide zinc carbonate …
sensitized solar cell (DSSC), first by directly growing layered hydroxide zinc carbonate …