Nature Communications (Aug 2018)

Accelerated discovery of stable lead-free hybrid organic-inorganic perovskites via machine learning

  • Shuaihua Lu,
  • Qionghua Zhou,
  • Yixin Ouyang,
  • Yilv Guo,
  • Qiang Li,
  • Jinlan Wang

DOI
https://doi.org/10.1038/s41467-018-05761-w
Journal volume & issue
Vol. 9, no. 1
pp. 1 – 8

Abstract

Read online

Conventional trial-error method is inefficient in discovering new functional materials in vast chemical and structural space. Here Lu et al. use machine learning techniques to screen out the most promising lead-free organic-inorganic perovskites with proper bandgap and stability from thousands of them in a flash.