Halide Pb-Free Double-Perovskites: Ternary vs. Quaternary Stoichiometry

被引:9
|
作者
Palummo, Maurizia [1 ,2 ]
Varsano, Daniele [3 ]
Berrios, Eduardo [4 ]
Yamashita, Koichi [5 ]
Giorgi, Giacomo [6 ,7 ]
机构
[1] Univ Roma Tor Vergata, Dipartimento Fis, Via Ric Sci 1, I-00133 Rome, Italy
[2] Univ Roma Tor Vergata, INFN, Via Ric Sci 1, I-00133 Rome, Italy
[3] Consiglio Nazl Ric CNR NANO, Ist Nanosci, Ctr S3, Via Campi 213-A, I-41125 Modena, Italy
[4] Univ Valparaiso, Fac Ciencias, Inst Quim & Bioquim, Ave Gran Bretana,1111 Playa Ancha, Valparaiso 2360102, Chile
[5] Kyoto Univ, Element Strategy Initiat Catalysts & Batteries ES, Nishikyo Ku, Kyoto 6158245, Japan
[6] Univ Perugia DICA, Dept Civil & Environm Engn, Via G Duranti 93, I-06125 Perugia, Italy
[7] CNR SCITEC, I-06123 Perugia, Italy
基金
欧盟地平线“2020”;
关键词
lead-free inorganic halide perovskites; ab-initioground and excited state analysis; photovoltaics; optoelectronic applications; LEAD-IODIDE PEROVSKITE; ORGANIC-INORGANIC PEROVSKITES; INITIO MOLECULAR-DYNAMICS; VALENCE GOLD(I; III); COMPOUND; DENSITY-FUNCTIONAL THEORY; TOTAL-ENERGY CALCULATIONS; OPEN-CIRCUIT VOLTAGE; SOLAR-CELLS; PHASE-TRANSITIONS; CRYSTAL-STRUCTURE;
D O I
10.3390/en13143516
中图分类号
TE [石油、天然气工业]; TK [能源与动力工程];
学科分类号
0807 ; 0820 ;
摘要
In view of their applicability in optoelectronics, we review here the relevant structural, electronic, and optical features of the inorganic Pb-free halide perovskite class. In particular, after discussing the reasons that have motivated their introduction in opposition to their more widely investigated organic-inorganic counterparts, we highlight milestones already achieved in their synthesis and characterization and show how the use of ab initio ground and excited state methods is relevant in predicting their properties and in disclosing yet unsolved issues which characterize both ternary and quaternary stoichiometry double-perovskites.
引用
收藏
页数:28
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