Electrons are the workhorses of solar energy conversion. Conversion of the energy of light to
electricity in photovoltaics, or to energy-rich molecules (solar fuel) through photocatalytic …

TiO2 has been commercially manufactured by the millions of tons to be widely utilized as
pigment, paint additive, and sunscreen to name a few uses, due to its photostability and light …

Metal, metal oxide, and metal chalcogenide materials have a wide variety of applications.
For example, many metal clusters and nanoparticles are used as catalysts for reactions …

Driven by growing concerns for environmental and energy issues, interest in semiconductor-
based heterogeneous photocatalysis has increased considerably over the last decades …

The oxidation and photo-oxidation of water on the rutile TiO2 (110) surface is investigated
using density functional theory (DFT) calculations. We investigate the relative stability of …

A systematic study on the photocatalytic activity of well-defined, macroscopic bulk single-
crystal TiO 2 anatase and rutile samples has been carried out, which allows us to link …

Polyoxotitanate nanoparticles play a crucial role as anodes in photovoltaic cells, 1 and as
photocatalysts in processes such as the oxidation of organic compounds in polluted air and …

The impressive photovoltaic performance of hybrid iodide CH3NH3PbI3 perovskite relies,
among other factors, on the optimal alignment of the electronic energy levels of the …

An overview of a collaborative experimental and theoretical effort toward efficient hydrogen
production via photoelectrochemical splitting of water into di-hydrogen and di-oxygen is …

We have investigated the absorption spectrum and the alignment of ground and excited
state energies for the prototypical N719 Ru (II) sensitizer adsorbed on an extended TiO2 …