Advanced Materials for Energy Conversion and Storage: Energy Storage I
Sponsored by: TMS Functional Materials Division, TMS: Energy Conversion and Storage Committee
Program Organizers: Amit Pandey, LG Fuel Cell Systems Inc.

Tuesday 2:00 PM
February 28, 2017
Room: 15A
Location: San Diego Convention Ctr

Session Chair: Partha Mukherjee, TAMU; Leela Arava , Wayne

2:00 PM  Keynote
Direct Electrodeposition of High Performance Solid and Mesostructured Li-ion Cathodes and Anodes: Paul Braun1; Hailong Ning2; Huigang Zhang3; 1University of Illinois at Urbana-Champaign; 2Xerion Advanced Battery Company; 3Nanjing University
    New synthetic routes often provide opportunities for innovation. Recently we have made considerable advances in the direct electrodeposition at modest temperatures of high performance tin-based Li-ion anodes and LiCoO2, LiMn2O4, and Al-doped LiCoO2-based Li-ion cathodes. The electrolytically active materials were formed either as solid films, or where significant volume changes upon cycling are present, off of a 3D mesostructured template. The capacities are near-theoretical, and in the case of the electroplated oxides, the crystallinities and electrochemical capacities of the oxides are comparable to powders synthesized at much higher temperatures (700 ~ 1000C). The electrodeposition method significantly broadens the scope of battery form factors and functionalities, enabling a variety of highly desirable battery properties including microbatteries, and high energy, high power, and flexible designs.

2:30 PM  Invited
A Multi-Scale Approach to Li-Ion Battery Analysis Using 2D, 3D, and 4D Microscopy: Jeff Gelb1; Stefanie Freitag2; Will Harris1; Arno Merkle1; 1Carl Zeiss X-ray Microscopy; 2Carl Zeiss Microscopy
    Here, we present a comprehensive imaging protocol for commercial Li-ion batteries and discuss the relevant understanding that is achieved at each length scale. The study begins using 2D light microscopy for fast overview imaging, followed by non-destructive 3D imaging with X-Ray and focused ion beam microscopy (XRM and FIB-SEM, respectively) to capture the fine details of the transport pathways. Complementary spectroscopic analysis with EDS and Raman microscopy further clarifies the 2D and 3D results, by providing chemical information to identify the structures. Finally, time-evolution (4D) imaging studies with non-destructive XRM elucidate the change that occur within the battery microstructures as a function of aging. Applying the techniques outlined above creates a unified spatial and chemical representation of the structure that can be used for subsequent modeling and simulation studies. The results of some example studies will additionally be presented, in order to illustrate the true power of image-based characterization.

2:55 PM  
First Principles Simulations of Lithium Ion Transport through Graphite/Electrolyte Interfaces: Vincenzo Lordi1; Mitchell Ong1; Tuan Pham1; Kyoung Kweon1; John Pask1; 1Lawrence Livermore National Lab
    The interface between anode and electrolyte plays a key role in the performance of lithium ion batteries. Here, we use first principles molecular dynamics to examine the solvation and energetics of Li transport across a typical anode interface comprising graphite and carbonate electrolyte. We find the coordination number of Li+ decreases as it approaches the graphite surface, suggesting that Li+ sheds its solvation shell to enter the anode. We determined the free energy profile for Li insertion or extraction from graphite, considering different surface orientations and chemical terminations. The energy required for intercalation depends on the graphite chemical termination and is affected strongly by electrostatic interactions between Li+ and the terminating species. We discuss the implications of these effects on Li transport dynamics related to the anode surface chemistry and Li+ solvation structure in the electrolyte, as well as the effects of applied voltage. Prepared by LLNL under Contract DE-AC52-07NA27344.