A deep understanding of defects is essential for the optimization of materials for solar energy
conversion. This is particularly true for metal oxide photo (electro) catalysts, which typically …

Secondary batteries are a core technology for clean energy storage and conversion
systems, to reduce environmental pollution and alleviate the energy crisis. Oxide cathodes …

Interfacial reactions drive all elemental cycling on Earth and play pivotal roles in human
activities such as agriculture, water purification, energy production and storage …

It has always been a goal to realize high efficiency and broadband emission in single‐
component materials. The appearance of metal halide perovskites makes it possible. Their …

Elucidating the mechanism of photoinduced water splitting on TiO2 is important for
advancing the understanding of photocatalysis and the ability to control photocatalytic …

The solar‐driven evolution of hydrogen from water using particulate photocatalysts is
considered one of the most economical and promising protocols for achieving a stable …

EPW is an open-source software for ab initio calculations of electron–phonon interactions
and related materials properties. The code combines density functional perturbation theory …

Halide perovskites (HPs) are potential game-changing materials for a broad spectrum of
optoelectronic applications ranging from photovoltaics, light-emitting devices, lasers to …

The efficiency of two-dimensional Dion–Jacobson-type materials relies on the complex
interplay between electronic and lattice dynamics; however, questions remain about the …

Molybdenum disulfide (MoS2) with high theoretical capacity is viewed as a promising anode
for sodium‐ion batteries but suffers from inferior rate capability owing to the polaron‐induced …