Anharmonic lattice vibrations play pivotal roles in the thermal dynamics in condense matters
and affect how the atoms interact and conduct heat. An in-depth understanding of the …

In recent years, bismuth-based semiconductors have become a research hotspot in the new
semiconductor field due to their unique optical and electronic properties. In addition, due to …

First-principles computations are used to investigate the structural, stability, mechanical,
optical, thermal, and electronic characteristics of perovskite material. A novel RbBa 2 Ti 3 O …

In this study, we synthesized CuO modified BiVO 4 composite (CuO-BiVO 4) and used it to
construct a novel coupling system, in which two processes of photocatalysis and …

AVO 4 orthovanadates are materials of fundamental and technological importance due to
the large variety of functional properties exhibited by them. These materials have potential …

BaTiO 3 exhibits promising photocatalytic characteristics and has the potential to be
employed in photocatalytic water splitting and pollutant degradation. Herein, we have …

Abstract Development of suitable photocatalyst materials is a major challenge for
applications in photocatalytic water splitting and degradation of pollutants. In this respect …

The cubic phase of CsNbO3 (CNO) perovskite has been hypothesized to investigate the
elastic, electronic, photocatalytic, and optical properties for various technological …

In this work, the structural, elastic, electronic, photocatalytic and optical properties of BaTi 2
O 5 have been explored using density functional theory (DFT). A comprehensive study of …

Polar domain walls in centrosymmetric ferroelastics (eg, BiVO 4 films) give rise to
inhomogeneity and offer promises for solar energy conversion applications via expediting …