Dulce Melo

Computational and experimental evaluation of bismuth modification in CsPbX3 (X = I− or Br−): Impact on structural and optical properties

In this work, the effects of partial substitution of Pb 2+ by Bi 3+ at the B-site of CsPbI 3 and CsPbBr 3 perovskites on their structural and optical properties were evaluated using an integrated approach combining Density Functional Theory (DFT) calculations and experimental res...