Polarons are quasiparticles that easily form in polarizable materials due to the coupling of
excess electrons or holes with ionic vibrations. These quasiparticles manifest themselves in …

Electronic structure calculations provide a useful complement to experimental
characterization tools in the atomic‐scale design of semiconductor heterojunctions for …

The beneficial effects on ZnO and TiO2 photocatalytic activity resulting from a suitable
combination of do** and heterojunctions were proposed and investigated by a synergistic …

Photocatalysis provides an attractive approach to convert CO 2 into valuable fuels, which yet
highly relies on a well-designed photocatalyst with good selectivity and high CO 2 reduction …

To address the over-emission of CO 2, the construction of new heterojunction materials is a
promising approach for the photoelectrocatalytic (PEC) conversion of CO 2 into valuable …

In this work we investigate the role of quantum confinement in group III–V semiconductor
thin films (2D nanostructures). To this end we have studied the electronic structure of nine …

This review provides a detailed exploration of titanium dioxide (TiO2) photocatalysts,
emphasizing structural phases, heterophase junctions, and their impact on efficiency. Key …

Heteroatom do** into metal oxides advantageously modulates optoelectronic properties
and provides promising possibilities for efficient light-to-energy conversion. Herein, nitrogen …

Composites formed by titania and graphitic C3N4, such as C3N4/TiO2 and
C3N4/SrTiO3/TiO2 heterojunctions, have attracted a considerable interest in recent years as …

Photoelectrochemical solar energy conversion offers a way to directly store light into energy-
rich chemicals. Photoanodes based on the WO3/BiVO4 heterojunction are most effective …