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Identifying Infrastructure and Collaborative Expertise for Electrochemical Energy Storage Applications

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Identifying Infrastructure and Collaborative Expertise for Electrochemical Energy Storage Applications School of School of Engineering Physical Sciences Identifying Infrastructure and Collaborative Expertise for Electrochemical Energy Storage Applications Principal Investigators: Nigel D. Browning & Laurence J. Hardwick 2 | Identifying Infrastructure and Collaborative Expertise for Electrochemical Energy Storage Applications Contents | 3 IDENTIFYING INFRASTRUCTURE Contents Executive Summary………………………………………………………………………..… ................................................................................................................1 AND COLLABORATIVE EXPERTISE 1. Overview Of Characterisation Methods and Expertise in the UK.. .................................................................................................3 FOR ELECTROCHEMICAL ENERGY 1.1. Methods in Large Scale National User Type Facilities………….. ...............................................................................................4 STORAGE APPLICATIONS 1.2. Methods in Mid-Scale National User Type Facilities……………. ............................................................................................... 13 1.3. Methods in Single Investigator Type Facilities…………………….. ..............................................................................................25 Principal Investigators: 2. Calibrated Observations and Data Driven Experimental Design…. .............................................................................................. 31 Nigel D. Browning & Laurence J. Hardwick 2.1. Metrology and Standards…………………………………………………….. ................................................................................................. 31 2.2. Data Analytics & Machine Learning……………………………………… ............................................................................................... 34 University of Liverpool, School of Engineering & School of Physical Sciences, 506 Brodie Tower, Liverpool, L69 3GQ. UK 3. Opportunities for Collaboration & Innovation…………………………… ....................................................................................................37 Contributors: 3.1. UK-wide Connections & Future Developments………………….................................................................................................. 38 Phoebe Allan (Birmingham) Houari Amari (Liverpool) 3.2. Instrument Sharing and Capital Purchases………….………..……… .............................................................................................. 41 Melanie Britton (Birmingham) 3.3. Gaps & International Collaborations…………………………………… ................................................................................................ 43 Laurent Chapon (Diamond/Oxford) James Cookson (Johnson Matthey) 3.4. Training Opportunities…………………………………………………………. ................................................................................................ 44 Paul Christensen (Newcastle) Bill David (ISIS/Oxford) Victoria Doherty (QinetiQ) References………………………………………………………………………………………... ............................................................................................................. 46 Robert Dryfe (Manchester) Nuria Garcia-Araez (Southampton) Appendix A: Questionnaire and Request for Input……………………………. ......................................................................................................56 Clare Grey (Cambridge) Sarah Haigh (Manchester) Appendix B: List of Respondents to Questionnaire……………………………. .....................................................................................................58 Sajad Haq (QinetiQ) Andrew Hector (Southampton) Appendix C: Workshop Agenda…………………………………………………………. .........................................................................................................59 Gareth Hinds (NPL) Appendix E: Workshop Participants………………………………………………….. .........................................................................................................60 B. Layla Mehdi (Liverpool) Katie Moore (Manchester) James Naismith (RCaH/Oxford) Eduardo Patelli (Liverpool) Sven Schroeder (Leeds) Barbara Shollock (Warwick) Susan Smith (STFC-Daresbury) Andrew Stevens (OptimalSensing) Pat Unwin (Warwick) Philip Withers (Manchester). 4 | Identifying Infrastructure and Collaborative Expertise for Electrochemical Energy Storage Applications Executive Summary | 5 EXECUTIVE SUMMARY A principal goal of the Faraday Battery Challenge is to provide environment (fed from the spokes to the hubs), overcoming the long- new EES systems. Machine learning is currently being employed in a framework for research and development through which term tendency of any hubs to focus on providing “routine” methods a wide number of “big data” applications, where it is being used to innovative solutions for future efficient, cost effective and recyclable to large numbers of researchers rather than innovating new methods. identify underlying trends that are missed by individual researchers. electrochemical energy storage (EES) systems can be conceived and By supporting researchers to collaborate extensively in coordinated Machine learning works best when the metadata of the experiments implemented. EES devices, and in particular batteries, are obviously research at both hubs and spokes, the Faraday Institution can is well defined. By coordinating the methods in the manner described not new (there is evidence that the basic technology is ~2200 years accelerate the establishment and application of unique expertise above, key parameters for EES research can be quickly identified by old), and there are many existing chemistries that are being pursued amongst UK scientists for EES research. machine learning methods. This will provide major advances in the worldwide for both automotive and grid applications – everyone use of the experimental methods by identifying which experiments appears to have a favourite combination of electrodes and electrolyte A key aspect of any measurement method is of course to be able should be performed to fill in the missing information – in the case that is sure to provide the best working system very soon! But how to quantify it in some reproducible manner. While this seems like of resource limitations (i.e. limited access to instrumentation) this do we decide what the best approach should be, given that there will it should be the origin of any scientific approach, in practice it is can provide major advances by significantly reducing the number of be a myriad of different applications and not enough time, funding complicated by the fact that different measurement methods can experiments that need to be performed to understand the underlying and research expertise to try them all? Lord Kelvin famously said “To provide completely different views of any EES system – a blessing mechanisms of performance. By integrating scientists that generate measure is to know. If you cannot measure it, you cannot improve it”, if we know how the views overlap, but a curse if we don’t. How, for data with scientists that analyse the underlying trends in the data and for EES devices, this means that if we want to make them better, example, do we correlate together NMR, Mass spectrometry and TEM into a coordinated approach to state-of-the-art characterisation, the we need to perform the key set of measurements that can identify the measurements of the same EES system? Each experiment requires Faraday Institution can accelerate the application of optimised EES underlying chemical mechanisms that can control performance. a set of unique expertise and will emphasize a different part of the systems for each application. overall system. When the effect of any potential impurities in the system In this report, we aim to identify the main characterisation methods (random errors) and the “standard practice” of the operator for the In summary, the main characterisation methods needed to make that have the greatest potential to identify fundamental mechanisms instrumentation being used (systematic errors) are taken into account, advancements in EES systems are mostly already present at the in EES devices. The infrastructure for these methods is distributed the difficulties in translating one dataset into another become clear. required levels in the UK (there are a few notable exceptions, such as around the UK and is available for researchers to use at large scale Coordinating a standard set of measurements, using a standard set NMR, that are described in this report). In most cases, the limitations national STFC user facilities such as ISIS (neutrons) and Diamond of practices and reporting a standard set of metadata to define the in their use are caused by complications in the user access models (X-ray imaging and diffraction), midscale national facilities at STFC sites experiment, is therefore another key part of using the most advanced of the facilities concerned, a sparsity of researcher expertise for EES and universities (X-ray diffraction, Electron Microscopy, NMR, Mass UK facilities for characterisation to help innovate new EES devices. systems (expertise in the characterisation method is not an issue), Spectrometry), and within single investigator laboratories at universities This coordinated approach provides strong support for the hub(s) and and the limited availability of peripheral support instrumentation (such and industries around the UK (optical methods, electrochemistry, etc). spokes model described above – the only way to achieve a consensus as specimen preparation tools and glove boxes to limit atmospheric While there is a great deal of characterisation that
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