Molecular Programming: Bottom-Up Fabrication of Multi-Element Compounds with Precisely-Defined Structure and Composition

分子编程：自下而上制造具有精确定义结构和组成的多元素化合物

• 批准号: 1309510
• 负责人: Javier Vela
• 金额: $ 36.57万
• 依托单位: Iowa State University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2013
• 资助国家: 美国
• 起止时间: 2013-06-01 至 2016-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1309510&HistoricalAwards=false
• 关键词: Molecular; Programming; Bottom; Up; Fabrication

With the support from the Solid State and Materials Chemistry program of the Division of Materials Research, Prof. Javier Vela and his group at Iowa State University investigate new "bottom-up" chemical reactivity approaches to control the composition, microstructure and properties of multi-element solid-state compounds. The specific aims of this project are to tune the reactivity of cationic molecular precursors for precise incorporation of transition metal dopants into Cu2ZnSnS4 (CZTS) and to tune the reactivity of phosphide molecular precursors for controlling the composition and degree of phase segregation in metal phosphosulfides. By enabling the fabrication of complex functional materials, this project has potential broad impacts on other research areas such as renewable energy generation, conversion and storage, magnetic data storage, and catalysis. The educational portion of this project builds on a successful collaboration with Prof. Hua-Jun Fan and his students at Prairie View A&M University (PVAMU), a Historically Black University, and seeks to broaden participation by recruiting and training a diverse scientific workforce. Prof. Fan, a computational chemist, uses computations to guide the development of molecular precursors. The Vela group hosts one PVAMU undergraduate student for eight-to-ten weeks each summer for the three-year duration of the project. Through this project, PVAMU students learn about the synthesis and characterization of solid-state materials.

在材料研究部固态与材料化学项目的支持下，爱荷华州立大学的Javier Vela教授和他的团队研究了新的“自下而上”的化学反应方法，以控制多元素固态化合物的组成、微观结构和性能。本项目的具体目标是调整阳离子分子前体的反应活性，以精确地将过渡金属掺杂剂掺入Cu2ZnSnS4 （CZTS）中，并调整磷化分子前体的反应活性，以控制金属磷硫化物的组成和相偏析程度。通过制造复杂的功能材料，该项目对其他研究领域具有潜在的广泛影响，如可再生能源发电、转换和存储、磁数据存储和催化。该项目的教育部分建立在与Prairie View A&amp；M大学（PVAMU）的范华军教授及其学生的成功合作基础上，该大学是一所历史悠久的黑人大学，旨在通过招募和培训多元化的科学劳动力来扩大参与。范教授是一名计算化学家，他利用计算来指导分子前体的发展。在为期三年的项目期间，Vela团队每年夏天都会接待一名PVAMU本科生，为期八到十周。通过这个项目，PVAMU学生学习固态材料的合成和表征。