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DOI	10.1039/c8ee00124c
	Iodine chemistry determines the defect tolerance of lead-halide perovskites
	Meggiolaro D.; Motti S.G.; Mosconi E.; Barker A.J.; Ball J.; Andrea Riccardo Perini C.; Deschler F.; Petrozza A.; De Angelis F.
发表日期	2018
ISSN	17545692
起始页码	702
结束页码	713
卷号	11 期号:3
英文摘要	Metal-halide perovskites are outstanding materials for photovoltaics. Their long carrier lifetimes and diffusion lengths favor efficient charge collection, leading to efficiencies competing with established photovoltaics. These observations suggest an apparently low density of traps in the prototype methylammonium lead iodide (MAPbI3) contrary to the expected high defect density of a low-temperature, solution-processed material. Combining first-principles calculations and spectroscopic measurements we identify less abundant iodine defects as the source of photochemically active deep electron and hole traps in MAPbI3. The peculiar iodine redox chemistry leads, however, to kinetic deactivation of filled electron traps, leaving only short-living hole traps as potentially harmful defects. Under mild oxidizing conditions the amphoteric hole traps can be converted into kinetically inactive electron traps, providing a rationale for the defect tolerance of metal-halide perovskites. Bromine and chlorine doping of MAPbI3 also inactivate hole traps, possibly explaining the superior optoelectronic properties of mixed-halide perovskites. © The Royal Society of Chemistry 2018.
英文关键词	Calculations; Defect density; Electron traps; Hole traps; Iodine; Iodine compounds; Layered semiconductors; Lead compounds; Metal halides; Perovskite; Temperature; Electron and hole traps; First-principles calculation; Halide perovskites; High defect densities; Optoelectronic properties; Oxidizing conditions; Solution-processed; Spectroscopic measurements; Defects; efficiency measurement; electron; inorganic compound; measurement method; observational method; oxidation; perovskite; photovoltaic system; reaction kinetics; redox conditions
语种	英语
来源期刊	Energy & Environmental Science
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/190301
作者单位	Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), CNR-ISTM, Via Elce di Sotto 8, Perugia, 06123, Italy; CompuNet, Istituto Italiano di Tecnologia, Via Morego 30, Genova, 16163, Italy; Center for Nano Science and TechnologyatPolimi, Istituto Italiano di Tecnologia, via Giovanni Pascoli 70/3, Milan, 20133, Italy; Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci, 32, Milano, 20133, Italy; Cavendish Laboratory, University of Cambridge, JJ Thomson Avenue, Cambridge, CB3 0HE, United Kingdom
推荐引用方式 GB/T 7714	Meggiolaro D.,Motti S.G.,Mosconi E.,et al. Iodine chemistry determines the defect tolerance of lead-halide perovskites[J],2018,11(3).
APA	Meggiolaro D..,Motti S.G..,Mosconi E..,Barker A.J..,Ball J..,...&De Angelis F..(2018).Iodine chemistry determines the defect tolerance of lead-halide perovskites.Energy & Environmental Science,11(3).
MLA	Meggiolaro D.,et al."Iodine chemistry determines the defect tolerance of lead-halide perovskites".Energy & Environmental Science 11.3(2018).