Structural overview and structure–property relationships of iodoplumbate and iodobismuthate

Bismuth Iodide Hybrid Organic‐Inorganic Crystal Structures and Utilization in Formation of Textured BiI3 Film

“…[1,2] This is mainly due to the large number of screening electrons in bismuth, giving a large energy difference between the outermost s and p orbitals. The s-electrons are only loosely bound to the charged atom, which give the bismuth ion (Bi 3+ ) its characteristics as a polarizable ion causing the degree of distortion and aggregation of BiI 6 n-octahedra to vary extensively.…”

“…We present in this paper the synthesis and crystal structures of two bismuth iodide hybrid organic-inorganic compounds 2,3,4,5-tetrahydrothiophene 1,1-dioxide, Bi 2 I 6 ·(C 4 H 8 O 2 S) 2 (1), and N,N-dimethylmethanamide, Bi 3 I 12 ·Bi(C 3 H 7 NO) 8 (2), along with a redetermination of a known iodobismuthate [dimethyl sulfoxide, Bi 2 I 9 ·Bi(C 2 H 6 OS) 8 (3)]. The latter has previously been determined by Bowmaker et al [5] The solution forming crystals of 3 are used as precursor for BiI 3 films.…”

“…A review by Wu et al gives an extended list of iodobismuthates and iodoplumbates where the organic cation is mainly phosphonium and ammonium types. [2][3][4] Focusing on iodobismuthates which do not contain these cations the number of complexes are significantly reduced, although the list is still extensive. With this constrain the following inorganic anionic iodobismuthates have been reported: [ [5][6][7][8][9] or 1D chains.…”

Crystal and Electronic Structures of Complex Bismuth Iodides A3Bi2I9 (A = K, Rb, Cs) Related to Perovskite: Aiding the Rational Design of Photovoltaics

“…As the 6s lone-pair-bearing Bi 3+ is isoelectronic to the tetrel dications and soft or polarizable just as Pb 2+ , the bismuth halide crystal chemistry is similar to the lead halide perovskites: rich structual diversity is observed, including distortion, vacancies, and various modes of aggregation of the MX 6 octahedra. 15 However, Bi 3+ ex-hibits a stronger tendency to form structures of lower dimensionality of the metal halide units than Pb 2+ . Recently, the closely related caesium antimony iodide Cs 3 Sb 2 I 9 has been investigated as solar cell absorber layer and the electronic structure of its polymorphs has been calculated by density functional theory (DFT).…”

“…13 Recently, some of us have demostrated that BiI 3 can be used as the active layer in photovoltaic devices. 14 Hybrid organic-inorganic bismuth halides have been studied regarding their rich structural variety 15,16 and in some cases optical properties. [17][18][19] Despite their much simpler composition, the optoelectronic properties of the ternary inorganic bismuth halides, with their most common family being the enneahalogenidometallate phases A 3 Bi 2 X 9 (A = K, Rb, Cs, or Tl; X = halide), have not been explored as extensively.…”