Defect ion in perovskite

A brief introduction to defect ion in perovskite.

Perovskite is an $AB{X}_3$ compound.

B is a divalent cation.
X is an anion.

A

A is a monovalent cation.
A can be organic such as Methylammonium ($M{A}^{+}$ , $C{H}_{3}N{H}_3$ ), Formamidinium ($F{A}^{+}$ , $HC(N{H}_2){)}_2$)
or inorganic such as $C{s}^{+}$

B

B is a divalent cation.
Commonly Pb and Sn.

X

X is an anion.
Halide such as I or Br.

Defects

This metal halides perovskite can have diverse intrinsic point defects such as:

• Vancancies on each position
• Antisites, where atoms/Ion interchanged
• Interstitials, atoms/ions located on nonlattice positions.

Many defect appear paired, for example: $X^{-}$ moves to an interstitial position and leaves a vacancy behind, and form Frenkel defect.
Whereas non paired defect so-called Schottky defect (e. g. An $X^{-}$ vacancy) are less likely.

Linked notes

013_Notes_Research