Metal halide perovskites (MHPs) are promising light harvesting and emitting materials that
have enabled solar energy conversion efficiencies of over 25% in solution-processed single …

Guanidinium (GA+) has been proven as the multifunctional cation in halide perovskite solar
cells (PSCs), attracting considerable attention due to its improved power conversion …

The electronic structures of four tin-based 0D hybrid perovskites ((NH3 (CH2) 2C6H5) 2
[SnCl6],(C6H10N2)[SnCl6],(C9H14N) 2 [SnCl6], and (C8H12N) 2 [SnCl6]) were determined …

Halide perovskites are materials for diverse optoelectronic applications owing to a
combination of factors, including their compositional flexibility. A major source of this …

Applications of organic–inorganic formamidinium (FA) lead triiodide (FAPbI3) perovskites in
high-efficiency solar cells often suffer from spontaneous α-to-δ phase transitions. However …

Recent developments in the field of high efficiency perovskite solar cells are based on
stabilization of the perovskite crystal structure of FAPbI3 while preserving its excellent …

In this first-principles investigation, we explore the polymorphic features of pseudo-cubic
alloys, focusing on the impact of mixing organic and inorganic cations on their structural and …

Overcoming the issue of the stability of tin‐based perovskites is a major challenge for the
commercial development of lead‐free perovskite solar cells. To attack this problem, a new …

Tin-based ASnI3 perovskites have been considered excellent candidates for lead-free
perovskite solar cell applications; however, our atomistic understanding of the role of the A …

Hydrogen bonds impact many material properties due to the bond directionality and
collective strength. For them to exist, the atoms connected to hydrogen should possess high …