文献类型：期刊文献

英文题名：Hydrothermal growth of facet-tunable fluoride perovskite crystals KMF3 (M = Mg, Mn, Co, Ni and Zn)

作者：Yuan, Long[1];Ge, Lei[2];Sun, Xiaoli[3];Zhang, Jiaqi[4];Yu, Jie[5];Zhang, Chenyang[5];Li, Haibo[1]

第一作者：Yuan, Long

通讯作者：Yuan, L[1];Li, HB[1];Zhang, JQ[2]

机构：[1]Jilin Normal Univ, Coll Phys, Key Lab Funct Mat Phys & Chem, Minist Educ, Changchun 130103, Peoples R China;[2]Jilin Prov Prod Qual Supervis & Inspect Inst, 2699 Yiju Rd, Changchun 130000, Peoples R China;[3]Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130023, Peoples R China;[4]Jilin Univ, Sch Mat Sci & Engn, State Key Lab Automot Simulat & Control, Key Lab Automobile Mat MOE, 2699 Qianjin St, Changchun 130012, Peoples R China;[5]Xinxiang Univ, Coll Chem & Chem Engn, Xinxiang 453600, Henan, Peoples R China

第一机构：Jilin Normal Univ, Coll Phys, Key Lab Funct Mat Phys & Chem, Minist Educ, Changchun 130103, Peoples R China

通讯机构：[1]corresponding author), Jilin Normal Univ, Coll Phys, Key Lab Funct Mat Phys & Chem, Minist Educ, Changchun 130103, Peoples R China;[2]corresponding author), Jilin Univ, Sch Mat Sci & Engn, State Key Lab Automot Simulat & Control, Key Lab Automobile Mat MOE, 2699 Qianjin St, Changchun 130012, Peoples R China.

年份：2020

卷号：22

期号：37

起止页码：6216-6227

外文期刊名：CRYSTENGCOMM

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000573314200012)】；

基金：This work was supported by the National Natural Science Foundations of China (Grant No. 51902127, 51802275) and the National College Students Innovation and Entrepreneurship Training Program (201911071002).

语种：英文

外文关键词：Cobalt metallography - Crystals - Fluorine compounds - Ligands - Magnesium metallography - Manganese metallography - Nickel metallography - Perovskite - Zinc compounds

摘要：Perovskite-structured ABX(3) halides are one of the most promising families of materials with many potential applications. However, the controllable growth methods of their crystal facets and the corresponding synthetic chemistry have not yet been resolved. In this paper, we report a ligand substitution strategy for the facet-tunable growth of perovskite structure KMF3 (M = Mg, Mn, Co, Ni and Zn) fluorides under mild hydrothermal conditions. The competition of the strong ligand of NH3 and weak ligand of F- in the octahedral crystal fields of M2+ results in different facet evolution routes for KMF3 samples with the M-site of empty-, partially- or fully-filled 3d orbitals. Although X-ray diffraction results indicated that all five KMF3 compounds are crystalized into the same space group (Pm (3) over barm, no. 221), the crystal shape of KMF3 with M = Mg, Mn, Co and Ni evolved from cubic shape to edge-truncated chamfer box shape, while KZnF3 evolved from cubic shape to corner-truncated cubic shape under the same set of synthetic conditions. The cubic shape habitat morphology of KMF3 crystals is enclosed by {100} facets, chamfer box (100) and {110} facets, and corner-truncated cube {100} and {111} facets. The crystal shape formation mechanism was analysed based on ligand field theory and the Bravais-Friedel-Donnay-Harker (BFDH) theory. We expect that the shape controllable synthetic method can benefit the growth of other halide material crystals, and the shape tunable crystals can find more important applications.