Manganese-based materials are considered as one of the most promising energy storage
cathode materials for zinc-ion batteries (ZIBs). In order to achieve major breakthroughs in …

Barium tantalum oxynitride (BaTaO2N), as a member of an emerging class of perovskite
oxynitrides, is regarded as a promising inorganic material for solar water splitting because of …

Machine learning (ML) models for molecules and materials commonly rely on a
decomposition of the global target quantity into local, atom-centered contributions. This …

In this comprehensive investigation, we explore the effectiveness of 55 dual-atom catalysts
(DACs) supported on graphitic carbon nitride (gCN) for both alkaline and acidic hydrogen …

The critical photophysical properties of lead-free halide double perovskites (HDPs) must be
substantially improved for various applications. In this regard, strain engineering is a …

An in-depth insight into the chemistry and nature of the individual chemical bonds is
essential for understanding materials. Bonding analysis is thus expected to provide …

Heterogenous electrocatalysis continues to witness propagating interest in a plethora of non‐
limiting electrochemical fields. Of which, water electrolysis has moved from lab‐scale …

Nitrogen-enriched polytriazine (NPT), a carbon nitride-based material, has received much
attention for CO2 storage applications. However, to enhance the CO2 uptake capacity more …

The second largest family of oxide ferroelectrics, after perovskites, are the tetragonal
tungsten bronzes (TTB) with the general formula A24A12C4B12B28O30. Cation disorder in …

Fe3+-cross-linked chitosan exhibits the potential for selectively adsorbing arsenic (As) over
competing species, such as phosphate, for water remediation. However, the effective …