Searching for novel functional materials represents an important direction in the research
and development of renewable energy. Due to their unique structural and compositional …

Photocatalytic water splitting is the environmentally benign artificial photosynthetic pathway
to dissociate water into hydrogen and oxygen. It provides a great platform for bridging the …

Predicting the stability of the perovskite structure remains a long-standing challenge for the
discovery of new functional materials for many applications including photovoltaics and …

The screening of novel materials with good performance and the modelling of quantitative
structure-activity relationships (QSARs), among other issues, are hot topics in the field of …

Current commercial batteries cannot meet the requirements of next-generation technologies,
meaning that the creation of new high-performance batteries at low cost is essential for the …

The B-site substituted perovskite oxides A 2 B′ B ″O 6 have in the recent decades gained
an increasing amount of interest due to their various interesting properties and possible …

The impressive rise in efficiencies of solar cells employing the three-dimensional (3D) lead–
iodide perovskite absorbers APbI3 (A= monovalent cation) has generated intense …

The mechanism and structure requirements of selective and total oxidation of methane in a
chemical looping process are both experimentally and theoretically examined on La1–x Sr x …

The continuous miniaturization of charge-based electronic devices and overcoming the
bottleneck of Moore's law have driven the rapid growth of spintronics, spintronics operates …

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 …