Stacking disorder as the critical tuning parameter for achieving high-performance applications

堆叠无序作为实现高性能应用的关键调整参数

• 批准号: 1927413
• 金额: --
• 依托单位: University College London
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2017
• 资助国家: 英国
• 起止时间: 2017 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-1927413
• 关键词: Stacking; disorder; critical; tuning; parameter

Very recent world-leading work on stacking disorder in ice and diamond1,2 places the CGS group in a unique position to now roll-out the know-how and knowledge into the wider materials arena. Guided by computational predictions, the student will prepare a wide range of stacking-disordered materials including AB materials, such as AgI, ZnS, GaN and SiC, small-molecule organic materials as well as metal-organic framework materials. Being able to control the stacking disorder in those materials will enable us to fine-tune their chemical and physical properties. Examples include the electronic band gaps, semiconductor properties, phosphorescence, solubility, hardness as well as (photo)catalytic and gas-storage properties.

最近在冰和钻石的堆叠紊乱方面的世界领先的工作使CGS小组处于一个独特的位置，现在将技术和知识推广到更广泛的材料领域。在计算预测的指导下，学生将制备广泛的堆叠无序材料，包括AgI， ZnS， GaN和SiC等AB材料，小分子有机材料以及金属有机框架材料。能够控制这些材料中的堆叠无序将使我们能够微调它们的化学和物理性质。例子包括电子带隙、半导体性质、磷光、溶解度、硬度以及（光）催化和气体储存性质。

项目成果

Stacking Disorder by Design: Factors Governing the Polytypism of Silver Iodide upon Precipitation and Formation from the Superionic Phase

• DOI: 10.1021/acs.cgd.8b01715
• 发表时间: 2018-11
• 期刊: Crystal Growth & Design
• 影响因子: 3.8
• 作者: Rachael L. Smith;M. Vickers;Martin Rosillo-Lopez;C. Salzmann