Amplifying Ion Transport at the Interfaces of Solid-State Batteries

制造更好的电池是21世纪的主要科学和社会挑战之一。然而，对现有电池的渐进式改进无法满足欧洲在2050年实现净零目标所必需的要求。因此，下一代电池对于实现运输电气化和可再生资源能源网格化储存所需的性能的变革性改进至关重要。然而，这类电池的全部潜力受到许多潜在挑战的严重阻碍，其中许多挑战集中在其组成材料中的离子传输和界面。基于我在材料原子模拟方面的专业知识和成熟的记录，并将此类模拟与宏观规模相联系，AMPED将彻底改变对固态电池体系结构中离子传输和界面的理解和设计。AMPED将利用最先进的经典、量子力学、结构预测和机器学习方法，通过实现以下四个关键目标来开发具有更高性能、稳定性和可持续性的电池材料：(1)建立了解离子在固体电解液中传输的新的时域范式(2)探索纳米结构固体电解质以优化性能(3)减轻固态电池异质界面的阻力和不稳定性(4)推动向可持续固态钠电池的过渡这些新颖和探索性模型将通过与我密切的电池材料和器件领域跨学科专家网络的合作进行实验验证。AMPED将为能源材料设计提供变革性的机会，推动计算能源材料设计的界限，从而推动欧洲能源研究的卓越，并进一步巩固我在计算材料科学前沿的研究。

Building better batteries is one of the major scientific and societal challenges of the 21st century. However, incremental improvements to current batteries cannot meet the requirements necessary for Europe to reach its net-zero goals by 2050. Next-generation batteries are therefore essential for the transformational improvements in performance required for the electrification of transport and grid-scale storage of energy from renewable resources. Nevertheless, the full potential of such batteries is severely hindered by numerous underlying challenges, many of which centre on the ion transport and interfaces in their constituent materials.Building upon my expertise and proven track record in the atomistic simulation of materials and connecting such simulations to the macroscale, AMPed will revolutionise the understanding and design of the ion transport and interfaces within solid-state battery architectures. AMPed will utilise state-of-the-art classical, quantum mechanical, structure prediction and machine learning approaches to develop battery materials with improved performance, stability and sustainability by achieving the following four key objectives:(1) Establish a new time-domain paradigm for understanding ion transport in solid electrolytes (2) Explore nanostructured solid electrolytes for optimised performance(3) Mitigate resistance and instability at heterointerfaces in solid-state batteries(4) Drive transition to sustainable solid-state sodium batteriesThese novel and exploratory models will be experimentally validated in partnership with my close network of interdisciplinary experts in battery materials and devices. AMPed will provide transformative opportunities for the design of energy materials and push the boundaries of computational energy materials design, thereby advancing the excellence of energy research in Europe and further consolidating my research at the frontier of computational materials science.