Ordered B-Site Vacancies in an ABX3 Formate Perovskite

被引：26

作者：

Bostrom, Hanna L. B. ^{[1
,2
]}

Bruckmoser, Jonas ^{[3
]}

Goodwin, Andrew L. ^{[1
]}

机构：

[1] Univ Oxford, Dept Chem, Inorgan Chem Lab, South Parks Rd, Oxford OX1 3QR, England

[2] Uppsala Univ, Dept Chem, Angstrom Lab, Box 538, S-75121 Uppsala, Sweden

[3] Tech Univ Munich, Dept Chem, Lichtenbergstr 4, Garching, Germany

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2019年 / 141卷 / 45期

基金：

欧洲研究理事会;

关键词：

METAL-ORGANIC FRAMEWORKS; NEGATIVE THERMAL-EXPANSION; VIBRATIONAL PROPERTIES; DIELECTRIC-RELAXATION; CRYSTAL-STRUCTURE; DEFECTS; BEHAVIOR; LUMINESCENCE; DISORDER; ANALOG;

D O I：

10.1021/jacs.9b09358

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We report the synthesis and structural characterization of the ABX3 perovskite frameworks [C(NH2)(3)]Mn-1-x(2+)(Fe-2x/3(3+),square(x/3))(HCOO)(3) (square = B-site vacancy). For large x, the vacancies order, lowering the crystal symmetry. This system establishes B-site vacancies as a new type of defect in formate perovskites, with important chemical, structural, and functional implications. Monte Carlo simulations driven by nearest-neighbor vacancy repulsions show checkerboard vacancy order to emerge for x > 0.6, in accord with experiment.

引用

页码：17978 / 17982

页数：5

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