Self-consistent tight binding molecular dynamics study of TiO2 nanoclusters in water

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 61.8K citations · Full text

Quantum Dynamic, Dynamic Equilibrium, Engineering +16

Efficient pseudopotentials for plane-wave calculations

N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 15.9K citations

Materials Science, First-principles Norm-conserving Pseudopotentials, Transition Metal Chalcogenides +13

A Monolithic Photovoltaic-Photoelectrochemical Device for Hydrogen Production via Water Splitting

O. Khaselev, John A. Turner · Science · 1998 · 2.2K citations

Hydrogen Energy Technology, Hydrogen Production, Engineering +18

The nature of the hydrated excess proton in water

Dominik Marx, Mark E. Tuckerman, Jürg Hutter et al. · Nature · 1999 · 1.9K citations

Proton Transfer, Proton-coupled Electron Transfer, Hydrogen +1

Low cost photovoltaic modules based on dye sensitized nanocrystalline titanium dioxide and carbon powder

Andreas Kay, Michaël Grätzel · Solar Energy Materials and Solar Cells · 1996 · 1.2K citations · Full text

Materials Science, Chemical Engineering, Engineering +13