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

作　　者：Xu Lian Zhirui Ma Zhonghan Zhang Jinlin Yang Shuo Sun Chengding Gu Yuan Liu Honghe Ding Jun Hu Xu Cao Junfa Zhu Shuzhou Li Wei Chen 

机构地区：[1]Department of Chemistry,National University of Singapore,Singapore,117543,Singapore [2]Centre for Advanced 2D Materials,National University of Singapore,Singapore,117546,Singapore [3]School of Materials Science and Engineering,Nanyang Technological University,Singapore,639798,Singapore [4]National University of Singapore(Suzhou)Research Institute,Suzhou,215123,China [5]Joint School of National University of Singapore and Tianjin University,International Campus of Tianjin University,Fuzhou,350207,China [6]National Synchrotron Radiation Laboratory,Department of Chemical Physics,University of Science and Technology of China,Hefei,230029,China [7]Department of Physics,National University of Singapore,Singapore,117542,Singapore

出　　处：《Nano Research》2020年第12期3224-3229,共6页纳米研究（英文版）

基　　金：The authors acknowledge the financial support from Singapore MOE Tier II grant R143-000-A29-112,Academic Research Fund Tie I grant RG104/18,and the National Research Foundation under the grant of NRF2017NRF-NSFC001-007;the computing resources from National Supercomputing Centre Singapore.

摘　　要：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.

关 键 词：perylene-3 4 9 10-tetracarboxylic diimide(PTCDI) lithium storage organic anode IMIDE electron transfer 

分 类 号：O63[理学—高分子化学]