AVS 66th International Symposium & Exhibition | |
New Challenges to Reproducible Data and Analysis Focus Topic | Wednesday Sessions |
Session RA+AS+CA+PS+TF-WeM |
Session: | Reproducibility in Science and Engineering, Including Materials and Energy Systems |
Presenter: | Vijayakumar Murugesan, Pacific Norththwest National Laboratory |
Authors: | V. Murugesan, Pacific Norththwest National Laboratory K.T. Mueller, Joint Center for Energy Storage Research (JCESR) |
Correspondent: | Click to Email |
Charge transfer across heterogeneous interfaces facilitated by redox reactions is the basis of energy storage technology. Capturing the interfacial processes over broad scales both spatially (ranging from angstroms up to 100 nm) and temporally (lasting from fs up to a few minutes) is a major challenge. This is one origin of the existing knowledge gaps in energy storage materials, which impede our ability to predict and control the emergent behaviors at electrochemical interfaces. As part of Joint Center for Energy Storage Research (JCESR) center, we developed a multi-modal in situ characterization tool set based on X-ray absorption, photoelectron and multinuclear NMR spectroscopy in combination with computational modelling that can access a range of the important complex processes. This multimodal approach helps us gain critical insights of the charge transfer process, but also presented unique challenges in data collection, analysis and reproducibility. The multitude of constituents and varying surface chemistry combined with external stimuli (applied potential and temperature) challenges the traditionally conceived time and spatial resolution limitations of the probes. For example, establishing reference systems and base line measurements for electrochemical process where combinatorial constituents react and depend on the charge state is a major challenge in spectroscopic studies and complicates subsequent corroboration with computational analysis. In this talk, we will discuss overcoming these challenges and apply the methods to critically analyzing solid-electrolyte interphase (SEI) evolution in Li-metal based batteries, multivalent ion transport across membranes and chemical stability of redox flow battery electrolytes.