Coupled XRD-PDF-XAS studies of hybrid organic-inorganic solid-solid phase change materials for thermal energy storage

The aim of this proposal is to use synchrotron radiation to solve by temperature-dependent powder XRD (TD-PXRD), total scattering analysis (PDF) and EXAFS the structure of hybrid organic-inorganic materials formulated (CnH2n+1-NH3)2MIICl4 (n = 6, 12, 13; M = Mn, Cu, Zn). The thermally-induced phase transitions are associated with strong reorganizations of the aliphatic chains, dynamic disorder and present high enthalpies of transformation. For this reason, this family of materials is promising for thermal energy storage applications.

本研究提案旨在利用同步辐射（synchrotron radiation），借助变温粉末X射线衍射（temperature-dependent powder XRD, TD-PXRD）、全散射分析（对分布函数，PDF）以及扩展X射线吸收精细结构（EXAFS）三种表征手段，解析通式为(CₙH₂ₙ₊₁-NH₃)₂MⅡCl₄（n=6、12、13；M=Mn、Cu、Zn）的有机-无机杂化材料的结构。该类材料的热致相变与脂肪族链的显著重构、动态无序现象密切相关，且具备较高的相变焓。正因如此，这一类杂化材料在热能存储领域具有良好的应用潜力。