Alloy catalyst design for synthesis of graphene and boron nitride sheets

石墨烯和氮化硼片材合成的合金催化剂设计

• 批准号: DE170101403
• 负责人: Dr Qinghong Yuan
• 金额: $ 24.09万
• 依托单位: The University of Queensland
• 依托单位国家: 澳大利亚
• 项目类别: Discovery Early Career Researcher Award
• 财政年份: 2017
• 资助国家: 澳大利亚
• 起止时间: 2017-10-30 至 2020-10-29
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DE170101403
• 关键词: Alloy; catalyst; design; synthesis; graphene

This project aims to use computational methods to determine the optimal catalyst for growth of high quality, continuous films, a crucial scientific problem in the synthesis of two dimensional materials. It will use first-principles calculations to explore the growth of graphene and hexagonal boron nitride on several designed alloy catalysts and develop a physical model to understand the mechanism of the chemical vapour deposition growth of the materials. The alloy catalyst design is expected to lead to experimental routes to synthesise high-quality and large-area graphene and hexagonal boron nitride films and accelerate the industrial application of two-dimensional nanomaterials. This will promote their application in catalysis, sensors, electronics, energy storage and increase Australia’s competitive advantage in synthesis of high-performance materials.

该项目旨在使用计算方法来确定高质量连续薄膜生长的最佳催化剂，这是二维材料合成中的一个关键科学问题。它将使用第一性原理计算来探索石墨烯和六方氮化硼在几种设计的合金催化剂上的生长，并开发一个物理模型来理解材料的化学气相沉积生长机制。该合金催化剂设计有望为合成高质量和大面积石墨烯和六方氮化硼薄膜开辟实验路线，并加速二维纳米材料的工业应用。这将促进它们在催化、传感器、电子、储能等领域的应用，并增加澳大利亚在高性能材料合成方面的竞争优势。