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、所用前体、所用离子液体和添加剂）的微妙影响，形成新的硫族金属酸盐相，并在电离热条件下相互转化。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亚结构：14/16、M/14/16和13/16。通过将半导体的电子情况与类沸石的结构特性相结合，这种元素组合的网络可能会表现出有趣的材料特性。作为扩展，还将研究第 14/15 族和 M/14/15 阴离子部分，它们可能是新型亚稳态金属间相的有用前体。初步研究表明，仅在一定温度范围内存在的二元14/16阴离子中间相的出现。为了更深入地了解形成和转变的过程、相的稳定性与亚稳态，从而全面了解电离热条件下尚未广泛探索的系统，我们计划应用高水平的量子化学研究使用DFT方法。优先计划内的互动应涉及与多个实验或理论工作组的知识交流和合作。