研发高效、廉价的低成本非贵金属催化剂是发展可控制氢和燃料电池供氢系统的关键。项目将探索粒径均一、比表面积大、分散性良好的超细纳米结构Fe、Co、Ni（≤5nm）的梯度可控制备方法，获得具有超细结构、特定晶面取向、高活性的纳米催化剂材料，提高超细纳米结构材料在硼基氢化物（NaBH4和NH3BH3）水解放氢反应中的循环稳定性；结合理论计算结果，获得材料组成、晶体结构、晶面取向、体相及表面缺陷、结晶状态等与其催化性能的关系，以及催化水解反应规律，为研发高效廉价非贵金属超细纳米结构体系及催化放氢提供理论基础和实验依据。

Efficient and cheap nonprecious metal-based catalysts play key roles in developing controllable hydrogen production/supply systems for fuel cells. In this program, we will exploit controllable preparation strategies for Fe, Co, Ni （≤5nm）with uniform particle size, large specific surface area, high dispersity, and ultrasmall nanostructures. We intend to obtain ultrasmall nanostructured materials having specifically exposed crystal faces and high catalytic activities, and to improve their catalytic stability towards hydrogen generation from hydrolysis of borohydrides (e.g., NaBH4 and NH3BH3). Both experimental and computational studies will be performed to reveal the hydrolytic catalysis mechanism and investigate the relation between catalytic performances and material parameters such as composition, crystal structure, crystal orientation, bulk and surface defects, crystallinity, and so on. The goal of the program is to theoretically and experimentally shed light on the development of well-performing, low-cost nonprecious and ultrasmall metal/alloy nanostructures for catalytic hydrogen generation.