Metal-halide perovskites have rapidly emerged as one of the most promising materials of the
21st century, with many exciting properties and great potential for a broad range of …

The rising demand for energy has accelerated the search for clean and renewable sources
and newer approaches towards efficient energy management. One of the most promising …

Chalcogenide semiconductors offer excellent optoelectronic properties for their use in solar
cells, exemplified by the commercialization of Cu (In, Ga) Se2-and CdTe-based photovoltaic …

Thermoelectric materials have drawn vast attentions for centuries, because thermoelectric
effects enable direct conversion between thermal and electrical energy, thus providing an …

The field of photovoltaics is undergoing a surge of interest following the recent discovery of
the lead hybrid perovskites as a remarkably efficient class of solar absorber. Of these …

Metal halide perovskites (MHPs) are characterized as strongly anharmonic and dynamic
lattices. While there is a consensus on the solvation-like polarization effect in these …

A comprehensive approach to understanding the electronic structure of monoclinic scheelite
bismuth vanadate (ms-BiVO4), including both valence band (VB) and conduction band (CB) …

The chemistry of post transition metals is dominated by the group oxidation state N and a
lower N-2 oxidation state, which is associated with occupation of a metal s2 lone pair, as …

We use a combination of symmetry arguments and first-principles calculations to explore the
connection between structural distortions and ferroelectricity in the perovskite family of …

To develop high‐performance nonlinear optical (NLO) materials for infrared (IR)
applications, we have applied a rational element‐composition design strategy and …