Advanced thermodynamic models to support innovative high temperature materials processing strategies for carbon-based clean energy applications

加拿大即将迎来一场清洁能源技术革命。在未来几年，这些技术有望成为支持加拿大实现《巴黎协定》设定的温室气体减排目标的主要解决方案。根据该协议，加拿大的目标是到2030年将二氧化碳当量排放量减少30%(相对于2005年的排放水平)。根据2016至2018年间的排放数据(最新官方数据)，我们估计最多只能实现约3%的减排。因此，必须提出一个紧急解决方案并迅速执行。清洁能源运输解决方案和清洁能源电网是应对这一历史性环境挑战的一些有前途的技术解决方案。但这两种解决方案都需要最先进的设备才能实际实施。具体地说，对于交通解决方案和能源电网，储能技术和太阳能设备是必不可少的。这些设备需要专门的高性能材料作为这场革命的工程支柱。碳基材料一直是清洁能源技术的坚定盟友。最近，以石墨(或其他类型的石墨碳)为电极材料的锂离子电池电动汽车前所未有的指数级增长，向世界暴露了所述碳材料对锂离子电池商业应用的重要性。石墨烯是石墨的纳米级对应物，也被广泛研究为高性能太阳能器件的潜在材料。然而，锂离子电池石墨阳极和石墨化太阳能材料都有一定的局限性。*目前的提议旨在开发用于清洁能源应用的新的碳基材料(例如太阳能装置、锂离子电池)。具体来说，在锂离子电池方面，我们将探索碳化硅-石墨(纳米)复合材料作为下一代电极的发展。我们还将探索回收用于这些设备的现有石墨电极的可能性，以增加这项技术的长期可持续性。最后，我们将尝试合成纳米硅石墨烯，这是一种具有很高潜力的未来太阳能器件的新材料。因此，这一提议的关键创新价值在于，所有旨在生产所述材料的试验性高温加工技术都将在分级热力学框架下开发。分层热力学是一种通用的高级热力学建模方法，非常适合描述分层结构，如碳基材料。因此，该项目有望在清洁能源领域产生高影响力的短期实际成果，并有助于我们对高温下先进材料热力学的基本理解的非常长期的发展。

Canada is on the verge of a clean energy technological revolution. In coming years, these technologies are expected to become the primary solution to support Canada in meeting its greenhouse gases reduction objectives set by the Paris Agreement. Under said agreement, Canada aimed to reduce by 2030 his CO2-equivalent emissions by 30% (relative to 2005 emission levels). Based on emission data between 2016 and 2018 (the most official recent data), we assess that, at best, a decrease of approximately 3 % has been achieved. Thus, an urgent solution must be proposed and rapidly implemented. Clean energy transport solutions and clean energy power grids are some of the promising technological solutions to answer this historical environmental challenge.    Both solutions will require state-of-the-art devices for practical implementation. Specifically, for transport solutions and energy grids, energy storage technologies and solar energy devices are essential. Said devices require specialised high performance materials to serve as the engineering backbone of this revolution. Carbon-based materials have always been a strong ally of clean energy technologies. Most recently, the unprecedented exponential rise of lithium-ion battery powered electric vehicles, which rely on graphite as electrode material (or other types of graphitic carbons), exposed to the world the importance of said carbon materials for commercial application of the lithium-ion batteries. Graphene, the nanoscale counterpart of graphite, has also been extensively studied as a potential material for high performance solar energy devices. However, lithium-ion battery graphite anodes and graphenic solar materials possess some limitations.    The present proposal aims at developing new carbon-based materials for clean energy applications (e.g. solar energy devices, lithium-ion batteries). Specifically, for lithium-ion batteries, we will explore the development of silicon carbide-graphite (nano)composite materials as next-generation electrodes. We will also explore the possibility of recycling existing graphite electrodes for these devices to increase long-term sustainability of this technology. Finally, we will attempt to synthesise nanosheets of silagraphene, a new material which holds high potential for future solar energy devices.    The key innovative value of this proposal is that all experimental high temperature processing technologies aimed at producing said materials will be developed under the framework of hierarchical thermodynamics. Hierarchical thermodynamics is a versatile advanced thermodynamic modelling approach well suited to the description of hierarchical structures such as carbon-based materials. Thus, this project is expected to yield high impact short-term practical results in the field of clean energy and contribute to the very long-term development of our fundamental understanding of the thermodynamics of advanced materials at high temperatures.