Substituents role in zinc phthalocyanine derivatives used as dye-sensitized solar cells. A theoretical study using Density Functional Theory

A low-cost, high-efficiency solar cell based on dye-sensitized colloidal TiO2 films

Brian C. O’Regan, Michaël Grätzel · Nature · 1991 · 28.4K citations · Full text

Natural Sciences, Materials Engineering, Materials Science +14

Electronic structure calculations on workstation computers: The program system turbomole

Reinhart Ahlrichs, Michael Bär, Marco Häser et al. · Chemical Physics Letters · 1989 · 8.5K citations

Computing, Computer Science, High-performance Computing +9

Conversion of light to electricity by cis-X2bis(2,2'-bipyridyl-4,4'-dicarboxylate)ruthenium(II) charge-transfer sensitizers (X = Cl-, Br-, I-, CN-, and SCN-) on nanocrystalline titanium dioxide electrodes

Mohammad Khaja Nazeeruddin, Andreas Kay, I. Rodicio et al. · Journal of the American Chemical Society · 1993 · 6K citations · Full text

Natural Sciences, Chemistry, Materials Science +9

Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory

Rüdiger Bauernschmitt, Reinhart Ahlrichs · Chemical Physics Letters · 1996 · 5.7K citations

Natural Sciences, Chemistry, Physics +15

Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold

Mark E. Casida, Christine Jamorski, Kim C. Casida et al. · The Journal of Chemical Physics · 1998 · 5K citations

Natural Sciences, Chemistry, Physics +9