The increasing threat posed by climate change has made energy storage more important than ever before. Lithium-ion batteries (LIB) have revolutionised portable electronics and have growing impact in electric vehicles. This success is due to their high energy densities which permit small light batteries to power increasingly small and complicated electronic devices. However, new generations of battery materials are required which combine high energy and power densities with low cost and high safety, for applications such as electric vehicles or static energy storage. The need to reduce CO2 emissions prioritises the use of renewable energy sources as opposed to the burning of fossil fuels. The intermittent nature of these renewable energy sources and the need to match supply with demand requires the storage of excess energy generated at peak production so that it may be released at times of peak demand. Electrochemical energy storage represents one of the more attractive solutions to this challenge. Polyoxyanion compounds are receiving considerable interest as alternative cathodes to conventional oxides. The strong binding of the oxygen in polyoxyanions enhances stability and thus safety, compared with layered transition metal oxides and raises the voltage via the inductive effect. The aim of this work is to investigate new polyanion systems, particularly oxalates, including the incorporation of highly electronegative fluorine which is beneficial for improving the electrochemical performance and raising the voltage. In a particularly exciting development, our preliminary studies indicate that in addition to conventional transition metal redox activity, the oxalate group itself may show redox behaviour. By employing a combination of experimental and computational techniques we will be able to obtain a fuller understanding of these materials and develop them towards possible application. In order to achieve this we have assembled a strong team of collaborators. These include academic partners for both computational (DFT) and experimental (Mossbauer and X-ray absorption spectroscopy) studies, together with industrial support from Faradion and Johnson Matthey. Our approach will maximise the opportunity to combine transition metal and oxalate redox and thereby obtain higher capacities, beyond the conventional metal-only redox activity.

Batteries and electrocatalytic devices (i.e electrolysers, fuel cells) have multiple components spanning different length scales. The materials design space in these research fields is too large to be explored empirically. While experimental work can be directed by computational modelling to make this challenge more tenable, this is time consuming, and the number of tests/syntheses is still be too large on the experimental scale. DIGIBAT will combine computational tools (e.g. atomistic and molecular modelling, process modelling, computer-aided design, machine learning algorithms, data science) and automated HT synthesis, characterisation and testing from atoms to devices to accelerate the discovery and optimisation of new batteries and electrofuels. Specifically, DIGIBAT will comprise three HT stations: Platform A dedicated to materials synthesis and characterisation, Platform B dedicated to HT electrodes manufacturing all the way to device manufacturing and Platform C dedicated to HT electrochemical testing for both batteries and electrocatalysts. DIGIBAT will be paired with materials characterisation also applied in HT, including in operando characterisation. By executing data-rich experiments, DIGIBAT will increase the pace of innovation, while enhancing reproducibility by eliminating human errors. The research enabled by ATLAS will target challenges related to: (1) the discovery and optimisation of new battery chemistries, (2) synthesising, optimising, and testing recycled battery materials; (3) Discovering precious metal free electrocatalysts for green H2 production and fuel cells; (4) Efficient N2 to ammonia and CO2 reduction to fuels and chemicals for electrocatalysts discovery

High-performance batteries had disruptive impact in the electronics sector, are pivotal in electrifying transport, and will play a crucial role in grid-scale storage solutions. In particular, Li-Ion and Na-Ion batteries are set to facilitate greater and more efficient use of renewable energy. Application demand for highest possible energy density and power, however, necessitates volatile chemistries and careful consideration of safety aspects as a number of high-profile battery accidents have made strikingly clear in recent years. The most catastrophic failure of Li-ion battery systems is a cascading thermal runaway. Thermal runaway can occur due to thermal, electrical, or mechanical abuse. It can result in the venting of toxic and highly flammable gases and the release of significant heat, potentially leading to explosions and severe damage to the battery, surrounding equipment and/or people. This project will provide materials technologies to physically safeguard Li-Ion and Na-Ion batteries against thermal runaway and thermally accelerated degradation, superseding existing external safety measures. Rather than changing the active material on the positive side, we will replace conductivity additives, an otherwise passive component of the electrodes, with smart materials. Electrical resistivity of the smart additives will increase by orders of magnitude at or above temperatures where it would otherwise be unsafe to operate the battery. As a consequence, uncontrolled electrochemical reactions, the initial heat source in a thermal runaway event, will cease, making electrochemically initiated thermal runaway impossible. The approach has several advantages: (1) it provides a drop-in solution, applicable to all active material chemistries in Li-Ion and Na-Ion batteries; (2) it is transferable to other battery technologies (e.g, Al-Ion); (3) it safeguards against a full range of abuse scenarios triggering thermal runaway; and (4) the protection mechanisms will be reversible with lifetime benefits of batteries under real-world situations. Smart additives will be developed utilising rational materials design driven by close integration between simulations at the atomistic and micro-scale with a comprehensive synthesis and characterisation program including a full array of in operando advanced electrochemical/spectroscopic techniques and x-ray tomography, complemented by state-of-the-art ex situ materials characterisation. Relevant abuse protocols will be developed and utilised to test batteries comprising electrodes with the smart additives at the cell and pack level. Further, we will exploit secondary characteristics of the smart additives to realise and demonstrate high-fidelity, non-invasive diagnostics and battery management to add an active safety layer for superior longevity. Alignment with ISCF objectives: Bringing together a complete value chain including SMIs (REAPsystems, Denchi), tier 1+2 suppliers (Johnson Matthey, Faradion, Yuasa), and larger OEMs (QinetiQ, Lloyd's, Dstl) with leading academics from engineering and chemistry (objectives 3+4), this project will innovate to deliver safer battery technologies and associated IP for automotive and other applications, increasing the UKs attractiveness for inward investment (objective 5) from global automotive OEMs and suppliers. Leveraged with over £150k support from industry, the program will increase the UKs R&D capacity/capability in battery research and deliver a world-leading, multi-disciplinary research program (objective 1) that is perfectly aligned with the 'Faraday Challenge' objectives, a UK flagship investment to develop and manufacture batteries for the electrification of vehicles (objective 2).

Alignment with the Industrial Strategy Challenge Funds This proposal aims to advance fundamental knowledge within the development low cost anodes for Na-ion batteries in order to accelerate the commercialisation of Na-ion batteries in the UK. Our proposed research clearly aligns with the Industrial Strategy Challenge Funds objectives and aims as following: ELECTRONIBs will closely collaborate with major industrial battery developers in the UK (Johnson Matthey and Faradion). Having them closely involved within our research will enable us to further apply jointly for various industrial funds in the future (for example via Innovate UK or the future Faraday Institute) to facilitate collaborations with other major industrial and academic battery developers in the UK. This will in turn increase the UK businesses' investment in R&D and improved R&D capability and capacity. ELECTRONIBS is a highly interdisciplinary research involving materials synthesis, electrochemistry, advanced characterisation and modelling and academics with complementary expertise. We will work closely with many EU and international experts from Germany, China, Sweden and Japan and we will involve UK and International industries. Therefore, we are likely to have an important academic and industrial impact not only at national level but also internationally leading to an increased multi- and interdisciplinary research around the very challenging area of low cost energy storage. Having directly involved in our proposal several UK and international companies working in the challenging are of batteries and energy storage will likely lead to an increased business-academic engagement on innovation activities in the field of Na-ion batteries. Key results will be discussed directly with industry, with a view to applying for Innovate UK funding to develop products based on shared expertise - our knowledge and understanding of the materials and how to synthesize/process them; industry's knowledge of product development, from initial prototype to market-ready devices, as well as their keen business acumen and market knowledge needed to successfully take a product to market. ELECTRONIBS has partners ranging from well established companies like JM to smaller SMES working in the field of Energy Storage like Faradion as well as companies producing low cost carbon materials such as AVA CO2. We have collaborative links with Toyota Central Research and Development Laboratories, the pioneering hybrid motor vehicle company that has a truly international influence. We also have Chinese Academy of Science via the Institute of Physics involved which have now their own spin off in producing Na-ion batteries. This will likely lead to increased collaboration between younger, smaller companies and larger, more established companies up the value chain in the UK and internationally. Our international collaborations will likely increase overseas investment in R&D in the UK. Due to their outstanding energy and power density, lithium-ion batteries (LIBs) have become the technology of choice for today's electrical energy storage. However, LIBs are not suitable for stationary energy storage because of their high costs and increasingly higher strain on lithium resources. Therefore there is a strong need to increase the diversity of energy storage solutions for energy security considerations. Sodium-ion batteries (SIBs) started to receive significantly more attention as low cost and affordable alternative to LIBs. This grant will explore new lost cost anodes based on available precursors with the aim to increase the SIB performance and facilitate their comercialisation. We will develop fundamental insights into the mechanisms of sodium ion storage, diffusion and intercalation in our designed electrodes by employing complex characterisation techniques and molecular simulations during battery operation.

Energy is one of the primary challenges of the 21st century, and is driven by a need to decarbonise the energy sector and increase energy security and supply. These issues are well documented and do not require reiterating, except to highlight that success is paramount for continued economic and societal growth. Batteries have an important role to play here in the areas of portable electronics, electrified vehicles and grid storage. To date, lithium-ion has revolutionised energy storage, but UK lithium reserves are limited and globally the majority is located in only four countries, placing future UK industry subject to external market and geopolitical forces. Technology diversification is essential and batteries based on abundant sodium (Na ~ 2.6 % vs. Li ~ 0.005 % in the Earth's crust) must be developed. The sodium-ion battery has the potential to meet performance and cost targets in emerging battery markets. The battery benefits from the use of widely available and abundant sodium and unlike the lithium-ion battery, does not rely on cobalt for its electrode materials, making it a sustainable alternative to lithium-ion. This project will accelerate delivery of this technology, which will provide UK PLC with an alternative high performance battery technology. A number of key challenges limit development of this battery and these include identification of stable high performance battery electrodes and electrolytes. Significant progress has been made in this space and numerous advanced materials have been reported, but development of the negative electrode lags behind the other components. The main reason for this is that current electrolytes used in these batteries react with the negative electrode. The goal of this research programme will be to understand how changing this electrolyte affects the fundamental chemistry at the negative electrode in the battery and to build on this to identify new battery components able to provide a high performance and long life sodium-ion battery. This programme will be supported by close interaction with leading industrial stakeholders in the field to ensure technology relevant outputs and to provide a route to commercialisation.