Real-time studies of battery electrochemical reactions inside a transmission electron microscope.

Leung, Kevin ; Hudak, Nicholas S. ; Liu, Yang ; Liu, Xiaohua H. ; Fan, Hongyou ; Subramanian, Arunkumar ; Shaw, Michael J. ; Sullivan, John Patrick ; Huang, Jian Yu

关键词: CARBONATES;    ELECTROCHEMICAL CELLS;    ELECTRODES;    ELECTROLYTES;    ELECTRON MICROSCOPES;    ETHYLENE;    FUNCTIONALS;    LITHIUM;    MOLTEN SALTS;    SIMULATION;    TRANSMISSION ELECTRON MICROSCOPY;   

DOI  :  10.2172/1038174
RP-ID  :  SAND2012-0103
PID  :  OSTI ID: 1038174
Others  :  TRN: US201208%%563

美国|英语

来源: SciTech Connect

【 摘 要 】

We report the development of new experimental capabilities and ab initio modeling for real-time studies of Li-ion battery electrochemical reactions. We developed three capabilities for in-situ transmission electron microscopy (TEM) studies: a capability that uses a nanomanipulator inside the TEM to assemble electrochemical cells with ionic liquid or solid state electrolytes, a capability that uses on-chip assembly of battery components on to TEM-compatible multi-electrode arrays, and a capability that uses a TEM-compatible sealed electrochemical cell that we developed for performing in-situ TEM using volatile battery electrolytes. These capabilities were used to understand lithiation mechanisms in nanoscale battery materials, including SnO{sub 2}, Si, Ge, Al, ZnO, and MnO{sub 2}. The modeling approaches used ab initio molecular dynamics to understand early stages of ethylene carbonate reduction on lithiated-graphite and lithium surfaces and constrained density functional theory to understand ethylene carbonate reduction on passivated electrode surfaces.