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 …

The remarkable achievement by Fujishima and Honda (1972) in the photo-electrochemical
water splitting results in the extensive use of TiO 2 nanomaterials for environmental …

High areal capacity and low-temperature ability are critical for lithium-ion batteries (LIBs).
However, the practical operation is seriously impeded by the sluggish rates of mass and …

The description of the band gap of halide perovskites at the level of density functional theory
(DFT) has been subject of several studies but still presents significant problems and …

TiNb2O7 is a Wadsley–Roth phase with a crystallographic shear structure and is a
promising candidate for high-rate lithium ion energy storage. The fundamental aspects of the …

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

Dye sensitized solar cells (DSSCs) use low-cost materials, feature tunable molecular
sensitizers, and exhibit quantum efficiencies near unity. These advantageous features can …

Semiconductor electronics is commonplace in every household. Semiconductor devices
have enabled economically reasonable fiber-based optical communication, optical storage …

Redox-active oxides find use in many applications, including catalysts, photovoltaic devices,
self-cleaning glasses, chemical sensors and electronic components. Their utility derives …

The formations of intrinsic n-type defects, that is, oxygen vacancies and titanium interstitials,
in rutile and anatase TiO2 have been compared using GGA+ U calculations. In both crystal …