title: Anomalous interfacial lithium storage in graphene/TiO2 for lithium ion batteries.
abstract: Graphene/metal-oxide nanocomposites have been widely studied as anode materials for lithium ion batteries and exhibit much higher lithium storage capacity beyond their theoretical capacity through mechanisms that are still poorly understood. In this research, we present a comprehensive understanding in microscale of the discharge process of graphene/TiO2 containing surface, bulk, and interfacial lithium storage based on the first-principles total energy calculations. It is revealed that interfacial oxygen atoms play an important role on the interfacial lithium storage. The additional capacity originating from surface and interfacial lithium storage via an electrostatic capacitive mechanism contributes significantly to the electrode capacity. The research demonstrates that for nanocomposites used in energy storage materials, electrode and capacitor behavior could be optimized to develop high-performance electrode materials with the balance of storage capacity and rate.
authors.affiliation: School of Materials Science and Engineering and Tianjin Key Laboratory of Composites and Functional Materials, Tianjin University , Tianjin 300072, China.
authors.forename: Enzuo
authors.initials: E
authors.lastname: Liu
authors.forename: Jiamei
authors.initials: J
authors.lastname: Wang
authors.forename: Chunsheng
authors.initials: C
authors.lastname: Shi
authors.forename: Naiqin
authors.initials: N
authors.lastname: Zhao
authors.forename: Chunnian
authors.initials: C
authors.lastname: He
authors.forename: Jiajun
authors.initials: J
authors.lastname: Li
authors.forename: Jian-Zhong
authors.initials: JZ
authors.lastname: Jiang
keywords: discharge process; first-principles calculations; interfacial lithium storage; interfacial oxygen atoms; pseudocapacity-like storage mechanism