Understanding of the formation of shallow level defects from the intrinsic defects of lead tri-halide perovskites
文献信息
Jongseob Kim, Choong-Heui Chung, Ki-Ha Hong
Organic–inorganic hybrid perovskites have unique electronic properties in which deep level defects are rarely formed. This unique defect characteristic is the source of the long carrier diffusion length. This theoretical study shows what causes this characteristic formation of shallow level defects in lead tri-halide perovskites. Comparative studies between iodides and other halides showed that deep level defect states were generated for Cl based perovskites. Longer Pb–halide bond lengths and narrower band gaps are beneficial for preventing deep level defect states. Additionally, our study shows that the formation of shallow level defects does not change even when the lattice structures of the perovskites do not reach their equilibrium structures.
期刊推荐

New Journal of Chemistry

Acta Materialia

Drug Discovery Today

Russian Journal of General Chemistry

Chemical Communications

Russian Journal of Bioorganic Chemistry

Current Opinion in Solid State & Materials Science

Russian Journal of Coordination Chemistry

Crystallography Reports

Russian Journal of Organic Chemistry
相关文献
A double-QM/MM method for investigating donor–acceptor electron-transfer reactions in solution
Jaroslav V. Burda
DOI: 10.1039/C4CP02307B
Hierarchical TiO2–CuInS2 core–shell nanoarrays for photoelectrochemical water splitting
Keying Guo, Zhifeng Liu, Jianhua Han, Zhichao Liu, Yajun Li, Bo Wang, Ting Cui, Cailou Zhou
DOI: 10.1039/C4CP01971G
Fluorescent carbon nanomaterials: “quantum dots” or nanoclusters?
Mariia O. Dekaliuk, Oleg Viagin, Yuriy V. Malyukin, Alexander P. Demchenko
DOI: 10.1039/C4CP00138A
Photoelectrocatalytic degradation of rhodamine B on TiO2 photonic crystals
Xiuzhen Zheng, Danzhen Li, Xiaofang Li, Linhui Yu, Peng Wang, Xiaoyun Zhang, Jialin Fang, Yu Shao, Yi Zheng
DOI: 10.1039/C4CP01888E
Synthesis and investigation of the imprinting efficiency of ion imprinted nanoparticles for recognizing copper
Aihua Wu
DOI: 10.1039/C4CP01858C
Plasmonic gold–poly(N-isopropylacrylamide) core–shell colloids with homogeneous density profiles: a small angle scattering study
Martin Dulle, Sarah Jaber, Sabine Rosenfeldt, Aurel Radulescu, Stephan Förster, Paul Mulvaney, Matthias Karg
DOI: 10.1039/C4CP04816D
Structural transformation and tuning behavior induced by the propylamine concentration in hydrogen clathrate hydrates
Seongmin Park, Hyery Kang, Kyuchul Shin, Yutaek Seo, Huen Lee
DOI: 10.1039/C4CP03972F
Constraints to the flat band potential of hematite photo-electrodes
A. Hankin, J. C. Alexander, G. H. Kelsall
DOI: 10.1039/C4CP00096J
The relationship between interfacial bonding and radiation damage in adsorbed DNA
R. A. Rosenberg, J. M. Symonds, K. Vijayalakshmi, Debabrata Mishra, T. M. Orlando, R. Naaman
DOI: 10.1039/C4CP01649A
Modelling analysis of the structure and porosity of covalent triazine-based frameworks
Christian Reece, David J. Willock, Abbie Trewin
DOI: 10.1039/C4CP04046E
您可能还喜欢
什么是3-表南美楝属二醇(CAS号:19942-04-2)?
3-表南美楝属二醇是一种具有特定立体化学结构的化合物,其分子式为C31H52O2,属于甾醇类化合物。它具有光学活性,是一种复杂的有机分子,主要存在于一些植物中。
3-羧基-5-碘苯甲酸甲酯(CAS号:50765-22-5)应用于哪些行业?
3-羧基-5-碘苯甲酸甲酯主要应用于医药行业,作为合成某些药物中间体的重要原料。此外,它还可能用于聚合物的改性、传感器的制备以及半导体材料的制备等领域。
什么是3-Bromoindolin-2-one(CAS号:22942-87-6)?
3-Bromoindolin-2-one是一种含有溴代基团的吲哚酮衍生物,分子式为C9H7BrNO。它是一种无色固体,具有一定的挥发性,熔点为158-159°C...
如何处理含有L-Lysyl-L-phenylalanyl-L-isoleucylglycyl-L-leucyl-L-methioninamide(CAS号:2990-43-4)的废料?
对于含有该化合物的废液,应先进行中和处理,然后根据其毒性和活性选择合适的处置方法。可以考虑焚烧处理或由专业的化学品废物处理公司进行无害化处理。处理过程中需注意环...
ANGIOTENSIN 1/2 + A (2 - 8)(CAS号:51833-76-2)的物理化学性质是什么?
ANGIOTENSIN 1/2 + A (2 - 8)是一种蛋白质类化合物,具有典型的蛋白质性质。它的分子量约为5900 Da。该化合物在水中具有一定的溶解性,...
如何储存2-甲基硫代嘧啶-5-硼酸频那酯(CAS号:940284-18-4)?
应将该化合物存放在阴凉干燥、通风良好的地方,避免阳光直射。建议将化合物密封保存在避光的、干燥的容器中,远离火源和高温环境。
什么是苏丹红IV氘代物 标准品(CAS号:1014689-18-9)?
苏丹红IV氘代物 标准品是一种含有氘代标记的苏丹红IV化合物,是一种用于化合物分析、结构确证以及代谢研究的标准物质。
(+)-2-Amino-6-propionamido-d3-tetrahydrobenzothiazole(CAS号:1217680-69-7)适用哪些法规指南?
该化合物需要遵循《全球化学品统一分类和标签制度》(GHS)中的分类和标签要求,具体分类需依据其毒性和物理化学性质。此外,还需要符合《欧盟化学品注册、评估、授权和...
如何储存2-氨基-2-(2-吡啶)乙酸乙酯(CAS号:55243-15-7)?
2-氨基-2-(2-吡啶)乙酸乙酯应储存于阴凉、干燥、通风良好的环境中,避免高温和光照。应使用密封容器储存,并远离易燃物、氧化剂和其他危险化学品。
3-羟基-4-甲氧基吡啶-2-羧酸(CAS号:210300-09-7)的主要用途是什么?
3-羟基-4-甲氧基吡啶-2-羧酸主要用于合成其他有机化合物,如药物合成、农药合成和染料合成等。此外,它还可用作中间体和试剂,在化学研究领域也有一定的应用。
来源期刊
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

![2-[(E)-(2-Methoxyphenyl)diazenyl]-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide structure 2-[(E)-(2-Methoxyphenyl)diazenyl]-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide structure](https://cnstatic.chemtradehub.com/structs/821/82199-12-0-f1d0.webp)
![{3-[Bis(4-hydroxyphenyl)methyl]-1-[2-(dimethylamino)ethyl]-1H-indol-2-yl}[4-(2-chlorophenyl)-1-piperazinyl]methanone structure {3-[Bis(4-hydroxyphenyl)methyl]-1-[2-(dimethylamino)ethyl]-1H-indol-2-yl}[4-(2-chlorophenyl)-1-piperazinyl]methanone structure](https://cnstatic.chemtradehub.com/structs/170/170365-25-0-e4d7.webp)
![(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(2-methyl-2-propanyl)decahydro-3-isoquinolinecarboxamide structure (3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(2-methyl-2-propanyl)decahydro-3-isoquinolinecarboxamide structure](https://cnstatic.chemtradehub.com/structs/136/136522-17-3-4d77.webp)
