An extended Tolerance Factor approach for organic-inorganic perovskites

被引：615

作者：

Kieslich, Gregor ^{[1
]}

Sun, Shijing ^{[1
]}

Cheetham, Anthony K. ^{[1
]}

机构：

[1] Univ Cambridge, Dept Mat Sci & Met, Cambridge CB3 0FS, England

来源：

CHEMICAL SCIENCE | 2015年 / 6卷 / 06期

基金：

欧洲研究理事会;

关键词：

PHASE-TRANSITIONS; HALIDE PEROVSKITES; LEAD IODIDE; ROOM; FRAMEWORKS; OCTAHEDRA; INTERPLAY; COMPOUND; DISORDER; GROWTH;

D O I：

10.1039/c5sc00961h

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Goldschmidt's concept of ionic Tolerance Factors was recently shown to be a valuable guideline for the preparation of new compounds within the field of organic-inorganic perovskites. Here, we extend this approach and calculate Tolerance Factors for over 2500 amine-metal-anion permutations of the periodic table. The results suggest the potential existence of more than 600 undiscovered hybrid perovskites including alkaline earth metal and lanthanide based materials.

引用

页码：3430 / 3433

页数：4

共 59 条

[1] Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin-Orbit Coupling and Octahedra Tilting [J].

Amat, Anna ;

Mosconi, Edoardo ;

Ronca, Enrico ;

Quarti, Claudio ;

Umari, Paolo ;

Nazeeruddin, Md. K. ;

Graetzel, Michael ;

De Angelis, Filippo .

NANO LETTERS, 2014, 14 (06) :3608-3616

[2] LAYER PEROVSKITES OF (CNORMALH2NORMAL+1NH3)2MX4 AND NH3(CH2)MNH3MX4 FAMILIES WITH M=CD, CU, FE, MN OR PD AND X=CL OR BR - IMPORTANCE, SOLUBILITIES AND SIMPLE GROWTH TECHNIQUES [J].

AREND, H ;

HUBER, W ;

MISCHGOFSKY, FH ;

RICHTERVANLEEUWEN, GK .

JOURNAL OF CRYSTAL GROWTH, 1978, 43 (02) :213-223

[3] Mechanism of the order-disorder phase transition, and glassy behavior in the metal-organic framework [(CH3)2NH2]Zn(HCOO)3 [J].

Besara, Tiglet ;

Jain, Prashant ;

Dalal, Naresh S. ;

Kuhns, Philip L. ;

Reyes, Arneil P. ;

Kroto, Harold W. ;

Cheetham, Anthony K. .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2011, 108 (17) :6828-6832

[4] There's room in the middle [J].

Cheetham, Anthony K. ;

Rao, C. N. R. .

SCIENCE, 2007, 318 (5847) :58-59

[5] [NH2NH3][M(HCOO)3] (M =Mn2+, Zn2+, Co2+ and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering [J].

Chen, Sa ;

Shang, Ran ;

Hu, Ke-Li ;

Wang, Zhe-Ming ;

Gao, Song .

INORGANIC CHEMISTRY FRONTIERS, 2014, 1 (01) :83-98

[6] Crystal chemistry of complex perovskites: New cation-ordered dielectric oxides [J].

Davies, P. K. ;

Wu, H. ;

Borisevich, A. Y. ;

Molodetsky, I. E. ;

Farber, L. .

ANNUAL REVIEW OF MATERIALS RESEARCH, 2008, 38 (369-401) :369-401

[7] Steric engineering of metal-halide perovskites with tunable optical band gaps [J].

Filip, Marina R. ;

Eperon, Giles E. ;

Snaith, Henry J. ;

Giustino, Feliciano .

NATURE COMMUNICATIONS, 2014, 5

[8] Data-Driven Review of Thermoelectric Materials: Performance and Resource Considerations [J].

Gaultois, Michael W. ;

Sparks, Taylor D. ;

Borg, Christopher K. H. ;

Seshadri, Ram ;

Bonificio, William D. ;

Clarke, David R. .

CHEMISTRY OF MATERIALS, 2013, 25 (15) :2911-2920

[9]

Gautier R, 2015, NAT CHEM, V7, P308, DOI [10.1038/NCHEM.2207, 10.1038/nchem.2207]

[10] CLASSIFICATION OF TILTED OCTAHEDRA IN PEROVSKITES [J].

GLAZER, AM .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1972, B 28 (NOV15) :3384-&

← 1 2 3 4 5 6 →