Phase Formation and Phase Transformation of Chalcogenidometallates in Ionic Liquids

离子液体中硫族金属盐的相形成和相变

• 批准号: 233915518
• 负责人: Professorin Dr. Stefanie Dehnen
• 金额: --
• 依托单位: Institut für Nanotechnologie (INT)
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 2013
• 资助国家: 德国
• 起止时间: 2012-12-31 至 2015-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/233915518?language=en
• 关键词: Phase; Formation; Transformation; Chalcogenidometallates; Ionic

The project aims at the formation of new chalcogenidometalate phases and their transformation into each other under ionothermal conditions via subtle influences on the reaction conditions (mainly T, used precursors, used ionic liquids, and additives). The target compounds comprise binary or multinary anionic substructures of the elemental combinations of the following groups (M = transition metal): 14/16, M/14/16 and 13/16. Networks of such elemental combinations are likely to show interesting materials properties by combining the electronic situation of semi-conductors with zeolite-like structural properties. As an extension, also group 14/15 and M/14/15 anionic moieties will be studied that may be useful precursors to novel metastable intermetallic phases. Preliminary studies indicate the appearance of intermediate phases with binary group 14/16 anions that only exist in a certain temperature range. For a deeper insight into the processes of formation and transformation, the stability versus metastability of the phases, and thus to gain a comprehensive understanding of the systems that have not yet been extensively explored under ionothermal conditions, we plan to apply high-level quantumchemical studies using DFT methods. The interaction within the priority program shall involve the exchange of knowledge and cooperation with several experimentally or theoretically working groups.

该项目旨在通过对反应条件（主要是T、使用的前体、使用的离子液体和添加剂）的微妙影响，在离子化条件下形成新的硫属元素化物相并使其相互转化。目标化合物包含以下基团（M =过渡金属）的元素组合的二元或多元阴离子子结构：14/16、M/14/16和13/16。这种元素组合的网络很可能通过将半导体的电子情况与沸石样结构性质相结合而显示出有趣的材料性质。作为扩展，还将研究第14/15和M/14/15族阴离子部分，它们可能是新型亚稳金属间相的有用前体。初步的研究表明，出现了中间相与二元组14/16阴离子，只存在于一定的温度范围内。为了更深入地了解形成和转化的过程，相的稳定性与亚稳性，从而全面了解电离条件下尚未广泛探索的系统，我们计划使用DFT方法进行高水平的量子化学研究。优先计划内的相互作用应包括与几个实验或理论工作组交流知识和开展合作。