| 题名 | Atomic structure and electrical/ionic activity of antiphase boundary in CH3NH3PbI3 |
| 作者 | |
| 通讯作者 | Zhang，Qing; Wang，Xiao; Li，Jiangyu; Gao，Peng |
| 发表日期 | 2022-08-01
|
| DOI | |
| 发表期刊 | |
| ISSN | 1359-6454
|
| EISSN | 1873-2453
|
| 卷号 | 234 |
| 摘要 | Defects in organic-inorganic hybrid perovskites (OIHPs) greatly influence their optoelectronic properties. Identification and better understanding of defects existing in OIHPs is an essential step towards fabricating high-performance perovskite solar cells. However, directly visualizing the defects is still a challenge for OIHPs due to their sensitivity during electron microscopy characterizations. Here, by using low dose scanning transmission electron microscopy techniques, we observe the common existence of antiphase boundary (APB) in CHNHPbI (MAPbI), resolve its atomic structure, and correlate it to the electrical/ionic activities and structural instabilities. Such an APB is caused by the half-unit-cell shift of [PbI] octahedron along the [100]/[010] direction, leading to the transformation from corner-sharing [PbI] octahedron in bulk MAPbI into edge-sharing ones at the APB. Based on the identified atomic-scale configuration, we further carry out density functional theory calculations and reveal that the APB in MAPbI repels both electrons and holes while serves as a fast ion-migration channel, causing a rapid decomposition into PbI that is detrimental to optoelectronic performance. These findings provide valuable insights into the relationships between structures and optoelectronic properties of OIHPs and suggest that controlling the APB is essential for their stability. |
| 关键词 | |
| 相关链接 | [Scopus记录] |
| 收录类别 | |
| 语种 | 英语
|
| 学校署名 | 通讯
|
| 资助项目 | National Natural Science Foundation of China[11772207]
; National Natural Science Foundation of China[11974023]
; National Natural Science Foundation of China[22003074]
; National Natural Science Foundation of China[52021006]
; National Natural Science Foundation of China[52072006]
; National Natural Science Foundation of China[52125307]
|
| WOS研究方向 | Materials Science
; Metallurgy & Metallurgical Engineering
|
| WOS类目 | Materials Science, Multidisciplinary
; Metallurgy & Metallurgical Engineering
|
| WOS记录号 | WOS:000808161200010
|
| 出版者 | |
| EI入藏号 | 20222012116166
|
| EI主题词 | Atoms
; Crystal Atomic Structure
; Defects
; Density Functional Theory
; High Resolution Transmission Electron Microscopy
; Iodine Compounds
; Layered Semiconductors
; Lead Compounds
; Organic-inorganic Materials
; Perovskite Solar Cells
; Scanning Electron Microscopy
|
| EI分类号 | Minerals:482.2
; Solar Cells:702.3
; Semiconducting Materials:712.1
; Optical Devices And Systems:741.3
; Probability Theory:922.1
; Atomic And Molecular Physics:931.3
; Quantum Theory
; Quantum Mechanics:931.4
; Crystal Lattice:933.1.1
; Materials Science:951
|
| ESI学科分类 | MATERIALS SCIENCE
|
| Scopus记录号 | 2-s2.0-85129942290
|
| 来源库 | Scopus
|
| 引用统计 |
被引频次[WOS]：7
|
| 成果类型 | 期刊论文 |
| 条目标识符 | http://sustech.caswiz.com/handle/2SGJ60CL/334792 |
| 专题 | 工学院_材料科学与工程系 |
| 作者单位 | 1.Electron Microscopy Laboratory,School of Physics,Peking University,Beijing,100871,China 2.KAUST Catalysis Center (KCC),Division of Physical Sciences and Engineering,King Abdullah University of Science and Technology (KAUST),Thuwal,23955-6900,Saudi Arabia 3.Shenzhen Key Laboratory of Nanobiomechanics,Shenzhen Institute of Advanced Technology,Chinese Academy of Sciences,Shenzhen,518055,China 4.Guangdong Provincial Key Laboratory of Electronic Functional Materials and Devices,Huizhou University,Huizhou,Guangdong,516001,China 5.School of Materials Science and Engineering,Peking University,Beijing,100871,China 6.School of Materials Science and Engineering,School of Mechanical Engineering,Shijiazhuang Tiedao University,Shijiazhuang,050043,China 7.Army Engineering University of PLA,State Key Laboratory for Disaster Prevention & Mitigation of Explosion & Impact,Nanjing,210007,China 8.State Key Laboratory of Advanced Welding and Joining,Harbin Institute of Technology,Harbin,150001,China 9.Guangdong Provincial Key Laboratory of Functional Oxide Materials and Devices,Department of Materials Science and Engineering,Southern University of Science and Technology,Shenzhen,518055,China 10.International Center for Quantum Materials,School of Physics,Peking University,Beijing,100871,China 11.Collaborative Innovation Center of Quantum Matter,Beijing,100871,China 12.Interdisciplinary Institute of Light-Element Quantum Materials and Research Center for Light-Element Advanced Materials,Peking University,Beijing,100871,China |
| 通讯作者单位 | 材料科学与工程系 |
| 推荐引用方式 GB/T 7714 |
Chen，Shulin,Wu，Changwei,Shang，Qiuyu,et al. Atomic structure and electrical/ionic activity of antiphase boundary in CH3NH3PbI3[J]. ACTA MATERIALIA,2022,234.
|
| APA |
Chen，Shulin.,Wu，Changwei.,Shang，Qiuyu.,Liu，Zhetong.,He，Caili.,...&Gao，Peng.(2022).Atomic structure and electrical/ionic activity of antiphase boundary in CH3NH3PbI3.ACTA MATERIALIA,234.
|
| MLA |
Chen，Shulin,et al."Atomic structure and electrical/ionic activity of antiphase boundary in CH3NH3PbI3".ACTA MATERIALIA 234(2022).
|
| 条目包含的文件 | ||||||
| 文件名称/大小 | 文献类型 | 版本类型 | 开放类型 | 使用许可 | 操作 | |
| 10.1016@j.actamat.20（1350KB） | -- | -- | 开放获取 | -- | 浏览 | |
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