First-Principles Engineering of Advanced Multicomponent Materials for Clean, Energy Efficient Thermoelectric and Catalytic Technologies

用于清洁、节能热电和催化技术的先进多组分材料的第一原理工程

• 批准号: DP0984389
• 负责人: Prof Catherine Stampfl
• 金额: $ 25.61万
• 依托单位: The University of Sydney
• 依托单位国家: 澳大利亚
• 项目类别: Discovery Projects
• 财政年份: 2009
• 资助国家: 澳大利亚
• 起止时间: 2009-01-29 至 2013-09-16
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DP0984389
• 关键词: First; Principles; Engineering; Advanced; Multicomponent

The quantum mechanical, first-principles calculations for studying advanced multicomponent materials and surfaces of high current technological interest will produce significant results as well as fundamental knowledge of key mechanisms that will aid in the design and tailoring of new catalytic and thermoelectric materials. The project is directly relevant to the designated priority area - Frontier Technologies for Building and Transforming Australian Industries. It will involve collaboration with leading international experts, thus enhancing Australia's knowledge base and research capacity. This clearly has immediate benefits through the transfer and propagation of cutting-edge knowledge and skills to students and post-docs.

研究先进的多组分材料和表面的高电流技术利益的量子力学，第一原理计算将产生显着的结果，以及关键机制的基础知识，这将有助于设计和定制新的催化和热电材料。该项目与指定的优先领域-建设和改造澳大利亚工业的前沿技术直接相关。它将涉及与国际领先专家的合作，从而加强澳大利亚的知识基础和研究能力。通过向学生和博士后转移和传播尖端知识和技能，这显然有直接的好处。