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Nano Research

Article Title

An in-situ spectroscopy investigation of alkali metal interaction mechanism with the imide functional group

Authors

Xu Lian, Department of Chemistry, National University of Singapore, Singapore 117543, Singapore;Centre for Advanced 2D Materials, National University of Singapore, Singapore 117546, Singapore
Zhirui Ma, Department of Chemistry, National University of Singapore, Singapore 117543, Singapore
Zhonghan Zhang, School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798, Singapore
Jinlin Yang, Department of Chemistry, National University of Singapore, Singapore 117543, Singapore;National University of Singapore Research Institute, Suzhou 215123, China
Shuo Sun, Department of Chemistry, National University of Singapore, Singapore 117543, Singapore
Chengding Gu, Department of Chemistry, National University of Singapore, Singapore 117543, Singapore
Yuan Liu, Department of Chemistry, National University of Singapore, Singapore 117543, Singapore;Joint School of National University of Singapore and Tianjin University, International Campus of Tianjin University, Fuzhou 350207, China
Honghe Ding, National Synchrotron Radiation Laboratory, Department of Chemical Physics, University of Science and Technology of China, Hefei 230029, China
Jun Hu, National Synchrotron Radiation Laboratory, Department of Chemical Physics, University of Science and Technology of China, Hefei 230029, China
Xu Cao, National Synchrotron Radiation Laboratory, Department of Chemical Physics, University of Science and Technology of China, Hefei 230029, China
Junfa Zhu, National Synchrotron Radiation Laboratory, Department of Chemical Physics, University of Science and Technology of China, Hefei 230029, China
Shuzhou Li, School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798, Singapore
Wei Chen, Department of Chemistry, National University of Singapore, Singapore 117543, Singapore;National University of Singapore Research Institute, Suzhou 215123, China;Joint School of National University of Singapore and Tianjin University, International Campus of Tianjin University, Fuzhou 350207, China;Department of Physics, National University of Singapore, Singapore 117542, Singapore

Keywords

perylene-3, 4, 9, 10-tetracarboxylic diimide (PTCDI), lithium storage, organic anode, imide, electron transfer

Abstract

Organic anode materials have attracted considerable interest owing to their high tunability by adopting various active functional groups. However, the interaction mechanisms between the alkali metals and the active functional groups in host materials have been rarely studied systematically. Here, a widely used organic semiconductor of perylene-3,4,9,10-tetracarboxylic diimide (PTCDI) was selected as a model system to investigate how alkali metals interact with imide functional groups and induce changes in chemical and electronic structures of PTCDI. The interaction at the alkali/PTCDI interface was probed by in-situ x-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), synchrotron-based near edge X-ray absorption fine structure (NEXAFS), and corroborated by density functional theory (DFT) calculations. Our results indicate that the alkali metal replaces the hydrogen atoms in the imide group and interact with the imide nitrogen of PTCDI. Electron transfer induced gap states and downward band-bending like effects are identified on the alkali-deposited PTCDI surface. It was found that Na shows a stronger electron transfer effect than Li. Such a model study of alkali insertion/intercalation in PTCDI gives insights for the exploration of the potential host materials for alkali storage applications.

Publisher

Tsinghua University Press

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