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.

该项目介绍了过渡金属卤化物MX3的二维分层化合物的固溶系统的评估（M = Cr，Mo，Rh，Ru; X，Y = Cl，Br，I）。为此，分别对实心溶液阶段M1 -XM´XX3和M（x1 -yyy）3的形成范围和存在范围进行系统研究。根据热力学分析（卤化物的电动性系列）进行合理的预选，以便预期具有很高概率的阳离子（CR，MO，RH，RU）中固体溶液晶体的形成。系统CRCL3-RUCL3和CRX3-Cry3（X，Y = Cl，Br，I）是评估方法频谱的模型系统，用于进一步发展，用于合理预测的热力学概念以及合适的合成条件的合理预测。在同质性范围内。为了避免昂贵的反复试验方法，将合成参数（CALPHAD）建模的方法与合成和表征的实验方法结合在一起。最后，参数优化旨在设定适当的条件，以使晶体沉积到研究的2D材料的单层极限。可以通过项目合作伙伴的各种方法来识别获得的晶体并在物理化学上表征。通过伪二进制系统M1-XM´XX3和M（X1-yyy）3的投资，将使用合理的方法为第四纪系统M1-XM´X（X1-yyy）3的投资创建中期先决条件。