The change of Na storage mechanism from Soft Carbon to Hard Carbon

Dataset for microstructure effect to Na storage mechanism. Abstract: Carbon materials: Soft Carbon and Hard Carbon, are two of the most promising for Sodium ion batteries anodes. However, the relation between Na storage mechanism and microstructure of Carbon materials are well not understood. In this work, we extend our previous phenomenological model and develop an efficient mean field theory for the calculation of OCV of carbon materials ranging from Soft Carbon to Hard Carbon with closed pores and open pores, respectively. Our model utilizes a very simple model for the energetic sites within the microstructure of disordered carbon materials and aims for a unifying picture of the Na storage mechanism in carbon materials ranging from soft carbon to hard carbons. In addition, we also study the impact of the current density on the utilization of energetic sites in the microstructure of hard carbon.### 数据集说明 微观结构对储钠机制影响数据集 #### 摘要 碳材料中的软碳（Soft Carbon）与硬碳（Hard Carbon）是当前钠离子电池（Sodium ion batteries）负极材料中最具应用潜力的两类材料。然而，碳材料的储钠机制与其微观结构之间的关联尚未得到充分阐明。本研究在前期现象学模型（phenomenological model）的基础上进行拓展，构建了一套高效的平均场理论（mean field theory），可分别针对具有闭孔与开孔结构的软碳至硬碳体系计算其开路电压（OCV, Open Circuit Voltage）。本模型针对无序碳材料（disordered carbon materials）微观结构内的活性位点（energetic sites）采用极简建模方案，旨在建立从软碳到硬碳的各类碳材料储钠机制的统一理论图景。此外，本研究还探究了电流密度对硬碳微观结构内活性位点利用率的影响。