journal article·2019-01-17

Improving Photovoltaic Stability and Performance of Perovskite Solar Cells by Molecular Interface Engineering

Linan Meng, Fan Zhang, Wei Ma, Yu Zhao, Peng Zhao, Huixia Fu, Wenlong Wang, Sheng Meng, Xuefeng Guo

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Abstract

Interface engineering in perovskite solar cells (PSCs) plays a key role in achieving high-power conversion efficiency (PCE, η) by suppressing electron–hole recombination and facilitating carrier injection. Here we adopt a hydrophobic molecule, 1-donecyl mercaptan (NDM), to modify the interface between MAPbI 3 and a hole transport layer (HTL). As a result, an improved PCE of PSCs from 12.75% (pristine MAPbI 3 ) to 15.04% (modified MAPbI 3 with NDM) is achieved, along with long-term antimoisture characteristics. First-principles simulations unravel an enhanced driving force for hole injection from MAPbI 3 to the HTL upon NDM adsorption, providing atomic-scale insights into the improved PCE. The combined experiment and simulation efforts offer a simple but effective molecular approach to fabricate PSCs with a higher PCE and better moisture tolerance.
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Research context

OpenAlex topics: Perovskite Materials and Applications · Quantum Dots Synthesis And Properties · Advanced Photocatalysis Techniques

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China

University of Chinese Academy of Sciences, Beijing 100049, People’s Republic of China

Ningxia Key Laboratory of Photovoltaic Materials, Ningxia University, Yinchuan, Ningxia 750021, People’s Republic of China

Collaborative Innovation Center of Quantum Matter, Beijing 100190, People’s Republic of China

Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, People’s Republic of China

Department of Materials Science and Engineering, College of Engineering, Peking University, Beijing 100871, People’s Republic of China

Funding

Ministry of Science and Technology of the People's Republic of China · National Natural Science Foundation of China · Chinese Academy of Sciences

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