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 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

作者机构：Department of ChemistryNational University of SingaporeSingapore117543Singapore Centre for Advanced 2D MaterialsNational University of SingaporeSingapore117546Singapore School of Materials Science and EngineeringNanyang Technological UniversitySingapore639798Singapore National University of Singapore(Suzhou)Research InstituteSuzhou215123China Joint School of National University of Singapore and Tianjin UniversityInternational Campus of Tianjin UniversityFuzhou350207China National Synchrotron Radiation LaboratoryDepartment of Chemical PhysicsUniversity of Science and Technology of ChinaHefei230029China Department of PhysicsNational University of SingaporeSingapore117542Singapore 

出 版 物：《Nano Research》 (纳米研究（英文版）)

年 卷 期：2020年第13卷第12期

页      面：3224-3229页

核心收录：

学科分类：0808[工学-电气工程] 081704[工学-应用化学] 0809[工学-电子科学与技术（可授工学、理学学位）] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070305[理学-高分子化学与物理] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 0702[理学-物理学] 

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 

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

摘      要：Organic anode materials have attracted considerable interest owing to their high tunability by adopting various active functional ***,the interaction mechanisms between the alkali metals and the active functional groups in host materials have been rarely studied ***,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 *** 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)*** results indicate that the alkali metal replaces the hydrogen atoms in the imide group and interact with the imide nitrogen of *** transfer induced gap states and downward band-bending like effects are identified on the alkali-deposited PTCDI *** was found that Na shows a stronger electron transfer effect than *** a model study of alkali insertion/intercalation in PTCDI gives insights for the exploration of the potential host materials for alkali storage applications.