氮掺杂介孔碳复合材料的控制合成与应用研究

This project focuses on the preparation of N-doped mesoporous carbon based nanocomposites, where the size of active components (transition metal borides, intermetallic compounds or atomically dispersed metals) can be lower than 1 nm. To improve the effective atom utilization of supported active component, controlled solution synthesis process will be designed and developed. The inherent laws among features about the experimental process, the composition, morphology, size of active components and their interactions with substrates will be also identified. Meanwhile, the electro-catalytic performances in HER, OER, ORR as well as the electrolyzer, fuel cell and metal-air battery applications of these nanocomposites will be studied in detail. To reveal the catalytic mechanism and the structure-activity relationship in certain catalytic reactions, we will further employ characterization analysis and first-principles calculation. By systematically mastering the control synthesis process, microstructure of active components and the electrochemical properties of such composite nanomaterials, the understanding of controlled solution synthesis phenomena and theory can be deepened, and the developments and applications of related science and technology will be promoted.

项目针对氮掺杂介孔碳负载超细结构活性物质(亚纳米级过渡金属硼化物、金属间化合物以及原子级分散金属)的复合材料，拟从最大化所负载活性物质原子利用率效率的角度，设计并开发可控的溶液合成工艺与方法，明确实验工艺与所负载的活性物质的组分、形貌和尺寸及其与载体之间相互作用等特征的内在规律。同时，详细研究相关复合纳米材料的氢析出、氧析出和氧还原催化性能及其在电解池、燃料电池以及金属空气电池中的应用，结合分析表征与第一性原理计算，探究其在相应催化反应过程中的催化机理和构-效关系。最终，通过系统掌握此类复合纳米材料的控制合成工艺、活性物质微观结构及其在电化学特性之间的内在联系，加深对液相控制合成复合纳米材料现象和原理的理解，促进相关科学技术的发展与应用。

项目从最大化氮掺杂介孔碳所负载活性物质原子利用率效率的角度，设计并开发了一系列可控的合成工艺与方法，成功实现了原子级/亚纳米级分散贵金属 (Pt、Ir、Rh、IrOx等)、超细金属间化合物(PtCo)和超细过渡金属化合物(F-Co3O4、CoSe、NiPS3等) 等高利用率催化剂的制备与进一步负载，探究了实验工艺与所负载的活性物质的组分、形貌和尺寸及其与载体之间相互作用等特征的内在规律，并进一步详细表征了相关复合纳米材料的氢析出、氧析出和氧还原催化性能及其在锌空电池中的性能表现。此外，结合态密度计算分析等理论手段，深入探究了不同的催化剂体系在各反应中的催化机理。总之，本项目深入讨论了氮掺杂介孔碳复合纳米材料的控制合成工艺、活性物质微观结构及其在电化学特性之间的内在联系，加深了对液相控制合成复合纳米材料现象和原理的理解，将促进相关科学技术的发展与应用。