Lead-Free Halide Double Perovskites via Heterovalent Substitution of Noble Metals

Lead-based halide perovskites are emerging as the most promising class of materials for next-generation optoelectronics; however, despite the enormous success of lead-halide perovskite solar cells, the issues of stability and toxicity are yet to be resolved. Here we report on the computational design and the experimental synthesis of a new family of Pb-free inorganic halide double perovskites based on bismuth or antimony and noble metals. Using first-principles calculations we show that this hitherto unknown family of perovskites exhibits very promising optoelectronic properties, such as tunable band gaps in the visible range and low carrier effective masses. Furthermore, we successfully synthesize the double…

• LT
  Leverhulme Trust

  Award: RL-2012-001
• EA
  Engineering and Physical Sciences Research Council

  Awards: EP/G049653/1, EP/J009857/1, EP/M020517/1, EP/M020517/1, EP/J009857/1
• SF
  Seventh Framework Programme

  Awards: 604032, 604391, 239578