The doping mechanism of halide perovskite unveiled by alkaline earth metals,Journal of the American Chemical Society

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The doping mechanism of halide perovskite unveiled by alkaline earth metals
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2020-01-09 , DOI: 10.1021/jacs.9b11637
Nga Phung ₁ , Roberto Félix ₁ , Daniele Meggiolaro _{2,

3} , Amran Al-Ashouri ₁ , Gabrielle Sousa E Silva ₁ , Claudia Hartmann ₁ , Juanita Hidalgo ₄ , Hans Köbler ₁ , Edoardo Mosconi _{2,

3} , Barry Lai ₅ , Rene Gunder ₁ , Meng Li _{1,

6,

7} , Kai-Li Wang ₆ , Zhao-Kui Wang ₆ , Kaiqi Nie _{1,

6} , Evelyn Handick ₁ , Regan G Wilks ₁ , Jose A Marquez ₁ , Bernd Rech _{1,

8} , Thomas Unold ₁ , Juan-Pablo Correa-Baena ₄ , Steve Albrecht _{1,

8} , Filippo De Angelis _{2,

3,

9} , Marcus Bär _{1,

10,

11} , Antonio Abate _{1,

12}

Affiliation

Helmholtz-Zentrum Berlin für Materialien und Energie GmbH , Hahn-Meitner-Platz 1 , 14109 Berlin , Germany.
Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO) , CNR-ISTM , Via Elce di Sotto 8 , 06123 Perugia , Italy.
D3-CompuNet , Istituto Italiano di Tecnologia , Via Morego 30 , 16163 Genova , Italy.
School of Materials Science and Engineering , Georgia Institute of Technology , North Avenue NW , Atlanta , Georgia 30332 , United States.
Advanced Photon Source , Argonne National Lab , 9700 Cass Avenue , Lemont , Illinois 60439 , United States.
Institute of Functional Nano & Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Joint International Research Laboratory of Carbon-Based Functional Materials and Devices , Soochow University , Suzhou 215123 , PR China.
Laboratory of Advanced Optoelectronic Materials, College of Chemistry, Chemical Engineering and Materials Science , Soochow University , Suzhou 215123 , PR China.
Faculty of Electrical Engineering and Computer Science , Technical University Berlin , Marchstraße 23 , 10587 Berlin , Germany.
Department of Chemistry, Biology and Biotechnology , University of Perugia , Via Elce di Sotto 8 , 06123 Perugia , Italy.
Department of Chemistry and Pharmacy , Friedrich-Alexander-Universität Erlangen-Nürnberg , Egerland Str. 3 , 91058 Erlangen , Germany.
Helmholtz Institute Erlangen-Nürnberg for Renewable Energy (HI ERN) , Albert-Einstein-Str. 15 , 12489 Berlin , Germany.
Department of Chemical, Materials and Production Engineering , University of Naples Federico II , Piazzale Tecchio 80 , 80125 Fuorigrotta , Italy.

Halide perovskites are a strong candidate for the next generation of photovoltaics. Chemical doping of halide perovskites is an established strategy to prepare the highest efficient and the most stable perovskite-based solar cells. In this study, we unveil the doping mechanism of halide perovskites using the series of alkaline earth metals. We find that low doping levels enable the incorporation of the dopant within the perovskite lattice, whereas high doping levels induce surface segregation. The threshold from low to high doping regime correlates to the size of the doping element. We show that the low doping regime induces a more n-type while the high doping regime induces a less n-type doping character. Our work provides a comprehensive picture of the unique doping mechanism of halide perovskite, which differs from the classical semiconductors. We proved the effectiveness of the low doping regime for the first time demonstrating highly efficient methylammonium lead iodide based solar cells in both n-i-p and p-i-n architectures.

中文翻译：

碱土金属揭示卤化物钙钛矿掺杂机理

卤化物钙钛矿是下一代光伏的有力候选者。卤化物钙钛矿的化学掺杂是制备最高效率和最稳定的钙钛矿基太阳能电池的既定策略。在这项研究中，我们利用碱土金属系列揭示了卤化物钙钛矿的掺杂机制。我们发现低掺杂水平能够将掺杂剂掺入钙钛矿晶格中，而高掺杂水平会导致表面偏析。从低掺杂到高掺杂的阈值与掺杂元素的大小相关。我们表明，低掺杂机制会导致更多的 n 型，而高掺杂机制会导致较少的 n 型掺杂特征。我们的工作全面了解了卤化物钙钛矿的独特掺杂机制，它不同于经典半导体。

更新日期：2020-01-09

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