Ion-conduction mechanisms in NaSICON-type membranes for energy storage and utilization

Technical Report · Thu Oct 01 04:00:00 EDT 2015

DOI:https://doi.org/10.2172/1222927· OSTI ID:1222927

McDaniel, Anthony H. ^[1]; Ihlefeld, Jon F. ^[1]; Bartelt, Norman Charles ^[1]

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1. Sandia National Laboratories (SNL-CA), Livermore, CA (United States); Sandia National Laboratories, Albuquerque, NM (United States)

Next generation metal-ion conducting membranes are key to developing energy storage and utilization technologies like batteries and fuel ce lls. Sodium super-ionic conductors (aka NaSICON) are a class of compounds with AM 1 M 2 (PO 4 ) 3 stoichiometry where the choice of "A" and "M" cation varies widely. This report, which de scribes substitutional derivatives of NZP (NaZr 2 P 3 O 12 ), summarizes the accomplishments of a Laboratory D irected Research and Development (LDRD) project to analyze transport mec hanisms using a combination of in situ studies of structure, composition, and bonding, com bined with first principles theory and modeling. We developed an experimental platform and applied methods, such as synchrotron- based X-ray spectroscopies, to probe the electronic structure of compositionally well-controlled NaSICON films while in operation ( i.e ., conducting Na ions exposed to oxygen or water va por atmospheres). First principles theory and modeling were used to interpret the experimental observations and develop an enhanced understanding of atomistic processes that give rise to, and affect, ion conduction.

• Research Organization: Sandia National Laboratories (SNL-CA), Livermore, CA (United States); Sandia National Laboratories, Albuquerque, NM (United States)
• Sponsoring Organization: USDOE National Nuclear Security Administration (NNSA)
• DOE Contract Number: AC04-94AL85000
• OSTI ID: 1222927
• Report Number(s): SAND--2015-8531; 607218
• Country of Publication: United States
• Language: English