Solar water splitting using photoelectrochemical cells (PECs) has emerged as one of the
most promising routes to produce hydrogen as a clean and renewable fuel source. Among …

Recent first-principles approaches to semiconductors are reviewed, with an emphasis on
theoretical insight into emerging materials and in silico exploration of as-yet-unreported …

Semiconducting oxides are valuable as thin-film displays or solar cell electrodes and are
recently of interest as back-end-of-line devices. There are numerous high-mobility n-type …

The development of high-performance p-type oxides with good hole mobilities is critical for
the application of metal–oxide semiconductors in back-end-of-line complementary metal …

The ultimate transparent electronic devices require complementary and symmetrical pairs of
n-type and p-type transparent semiconductors. While several n-type transparent oxide …

The ability to dope a semiconductor depends on whether the Fermi level can be moved into
its valence or conduction bands, on an energy scale referred to the vacuum level. For …

In an effort to discover a high-mobility p-type oxide, recent computational studies have
focused on Sn2+-based ternary oxides. Ta2SnO6 has been suggested as a potentially …

Directed design of new photocatalysts remains a challenging task in materials chemistry.
One approach in metal oxides is to engineer the bulk electronic structure to achieve …

Developing visible light responsive metal oxide photocatalysts is a challenge that must be
conquered to achieve high efficiency for water splitting or hydrogen evolution reactions …

The development of p-type oxide semiconductors is challenging owing to the localized
nature of the valence band maximum (VBM), which primarily comprises O 2p orbitals …