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Publication

The Role of Goldschmidt's Tolerance Factor in the Formation of A(2)BX(6) Double Halide Perovskites and its Optimal Range

Mohammad Khaja Nazeeruddin, Tom Theodorus Antonius Lummen, Nikita Drigo, Alexander Fedorovskiy
2020
Journal Articles

Abstract

Vacancy-ordered double perovskites is a new branch of lead-free halide perovskites with properties promising for photovoltaic application. In this study, data about the crystal structure of 170 known A(2)BX(6) (X = I, Br, Cl, F) are collected and analyzed to solve a question of applicability of the Goldschmidt's tolerance factor and octahedral factor to double perovskites. It is found that Goldschmidt's tolerance factor is applicable for double perovskites in analog with ABX(3) perovskites. Suggested optimal ranges of Goldschmidt's factor expand the geometrical approach from ABX(3) perovskites to A(2)BX(6) double perovskites. The result is useful for up to 796 new full inorganic compounds having double-perovskite structure and designing new hybrid organic-inorganic double perovskites.

Official source

https://infoscience.epfl.ch/entities/publication/0a476f2a-e913-406f-b6dc-7742175db9a8

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Mohammad Khaja Nazeeruddin, Tom Theodorus Antonius Lummen, Nikita Drigo, Alexander Fedorovskiy
2020
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/0a476f2a-e913-406f-b6dc-7742175db9a8

About this result

Related concepts (20)

Perovskite solar cell

A perovskite solar cell (PSC) is a type of solar cell that includes a perovskite-structured compound, most commonly a hybrid organic–inorganic lead or tin halide-based material as the light-harvesting active layer. Perovskite materials, such as methylammonium lead halides and all-inorganic cesium lead halide, are cheap to produce and simple to manufacture. Solar-cell efficiencies of laboratory-scale devices using these materials have increased from 3.8% in 2009 to 25.

Perovskite (structure)

A perovskite is any material with a crystal structure following the formula ABX3, which was first discovered as the mineral called perovskite, which consists of calcium titanium oxide (CaTiO3). The mineral was first discovered in the Ural mountains of Russia by Gustav Rose in 1839 and named after Russian mineralogist L. A. Perovski (1792–1856). 'A' and 'B' are two positively charged ions (i.e. cations), often of very different sizes, and X is a negatively charged ion (an anion, frequently oxide) that bonds to both cations.

Perovskite

Perovskite (pronunciation: pə'rɒvskaɪt) is a calcium titanium oxide mineral composed of calcium titanate (chemical formula ). Its name is also applied to the class of compounds which have the same type of crystal structure as (XIIA2+VIB4+X2−3), known as the perovskite structure. Many different cations can be embedded in this structure, allowing the development of diverse engineered materials. The mineral was discovered in the Ural Mountains of Russia by Gustav Rose in 1839 and is named after Russian mineralogist Lev Perovski (1792–1856).

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