Strategies for chemical modification of transition metal halides MX3 (M = Cr, Mo, Rh, Ru; X = Cl, Br, I) as 2D layered materials: rational synthesis planning, crystal growth and chemical/physical properties

过渡金属卤化物 MX3（M = Cr、Mo、Rh、Ru；X = Cl、Br、I）作为二维层状材料的化学修饰策略：合理的合成规划、晶体生长和化学/物理性质

• 批准号: 437046793
• 负责人: Dr. Silke Hampel
• 金额: --
• 依托单位: Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden (IFW) e.V.
• 依托单位国家: 德国
• 项目类别: Research Grants
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/437046793?language=en
• 关键词: Strategies; chemical; modification; transition; metal

The project addresses the evaluation of solid solution systems of two-dimensional layered compounds of the transition metal halides MX3 (M = Cr, Mo, Rh, Ru; X, Y = Cl, Br, I). To this end, systematic investigations are to be carried out on the formation and existence ranges of solid solution phases M1−xM´xX3 and M(X1−yYy)3, respectively. A rational pre-selection of suitable systems is carried out on the basis of thermodynamic analyses (electromotive series of the halides), so that the formation of solid solution crystals in the combination of the cations (Cr, Mo, Rh, Ru) is expected with a high degree of probability. The systems CrCl3-RuCl3 and CrX3-CrY3 (X, Y = Cl, Br, I) serve as model systems for the evaluation of the method spectrum and for the further development of thermodynamic concepts for the rational prediction of the existence ranges as well as suitable synthesis conditions for crystal growth.The main objective is the experimental realization of directed depositions of bulk crystals and nano-layers of the solid solution phases with a defined composition within the homogeneity range. In order to avoid expensive trial-and-error methods, methods of modeling the synthesis parameters (CalPhaD) are combined with experimental methods of synthesis and characterization. Finally, parameter optimization aims at setting suitable conditions for the deposition of crystals down to the monolayer limit of the investigated 2D materials. The crystals obtained can be identified and characterized physico-chemically with a broad spectrum of methods of the project partners. With the investigation of pseudo-binary systems M1−xM´xX3 and M(X1−yYy)3, mid-term prerequisites are to be created for investigations of quaternary systems M1−xM´x(X1−yYy)3 with a rational approach.

该项目涉及对过渡金属卤化物MX3(M=Cr，Mo，Rh，Ru；X，Y=Cl，Br，I)的二维层状化合物固溶体系统的评价。为此，将对固溶体相M1−xM‘xX3和M(X1−YYY)3的形成和存在范围进行系统的研究。在热力学分析的基础上(卤化物的电动系列)对合适的体系进行了合理的预选，以期以较高的概率在阳离子(Cr，Mo，Rh，Ru)的组合中形成固溶体晶体。CrCl3-RuCl3和CrX3-CrY3(X，Y=Cl，Br，I)体系作为模型体系，用于评价方法光谱和进一步发展热力学概念，以合理预测存在范围和适合晶体生长的合成条件。主要目的是在实验上实现在均匀范围内定向沉积大块晶体和具有特定组成的固溶体相的纳米层。为了避免昂贵的反复尝试的方法，合成参数的建模方法(CALPHAD)与合成和表征的实验方法相结合。最后，参数优化的目的是设置合适的条件，使晶体沉积到所研究的2D材料的单层极限。所获得的晶体可以用项目合作伙伴的各种方法进行物理化学鉴定和表征。随着对伪二元系统M1−XM‘xX3和M(X1−YYY)3的研究，将为用有理方法研究四元系统M1−XM’x(X1−YYY)3创造中期先决条件。