Exploring the properties of lead-free hybrid double perovskites using a combined computational-experimental approach

By Zeyu Deng, F. Wei, Shijing Sun, G. Kieslich, A. Cheetham, P. Bristowe. 2016

212 citations recorded by the source corpus.

Density functional theory screening of the hybrid double perovskites (MA)2BIBiX6 (BI = K, Cu, Ag, Tl; X = Cl, Br, I) shows that systems with band gaps similar to those of the MAPbX3 lead compounds can be expected for BI = Cu, Ag, Tl. Motivated by these findings, (MA)2TlBiBr6, isoelectronic with MAPbBr3, was synthesised and found to have a band gap of ∼2.0 eV.

Subfields: Electrical and Electronic Engineering, Electronic, Optical and Magnetic Materials, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/c98eb19c3f5f6599486077ea7763624e458c36e5

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

1. E. Meyer
2. Raymond Tichaona Taziwa
3. Dorcas Mutukwa
4. Nyengerai Zingwe

Citations in the corpus

• Lead-Free Halide Double Perovskites: A Review of the Structural, Optical, and Stability Properties as Well as Their Viability to Replace Lead Halide Perovskites (2018, background): “[40] reported a (MA)2TlBiBr6 that is isoelectronic with MAPbBr3 and that also crystallized into a 3D cubic structure belonging to the space group Fm-3m with a lattice parameter of 11.”