Structural, Electric and Dynamic Properties of (Pyrrolidinium)₃[Bi₂I₉] and (Pyrrolidinium)₃[Sb₂I₉]: New Lead-Free, Organic-Inorganic Hybrids with Narrow Band Gaps.

ABSTRACT: Hybrid organic-inorganic iodides based on Bi(III) and Sb(III) provide integrated functionalities through the combination of high dielectric constants, semiconducting properties and ferroic phases. Here, we report a pyrrolidinium-based bismuth (1) and antimony (2) iodides of (NC₄H₁₀)₃[M₂I₉] (M: Bi(III), Sb(III)) formula which are ferroelastic at room temperature. The narrow band gaps (~2.12 eV for 1 and 2.19 eV for 2) and DOS calculations indicate the semiconducting characteristics of both materials. The crystal structure consists of discrete, face-sharing bioctahedra [M₂I₉]^3- and disordered pyrrolidinium amines providing charge balance and acting as spacers between inorganic

SUBMITTER: Rowinska M 

PROVIDER: S-EPMC10180494 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature