高分散Co、Ni、Al-Ti纳米催化剂制备及催化储放氢研究

Hydrogen storage materials with light mass and high capacity have attracted many researchers’ attention. Due to problem of high temperature and slow kinetics of hydrogen storage/desorption of LiAlH4,MgH2,NH3BH3 and LiBH4, in this program we creatively propose preparation of high dispersive Nano Co, Ni, Al-Ti and their catalytic hydrogen storage/desorption.The high dispersive Nano Co, Ni, Al3Ti-TiH2 catalysts supported on carbon with uniform particle size, large specific surface area will be synthesized. The effect of composition and size of catalysts on hydrogen storage/desorption of LiAlH4, MgH2, NH3BH3 and LiBH4 will be explored, and the optimal preparation condition for catalysts will be obtained. Catalytic mechanism and model will be established by means of instrument analysis（TEM, XRD, XPS, TG-DSC）,thermodynamic method and first principle computation.Hydrogen storage data base will be constructed. It will provide scientific basis for design & preparation of new high dispersive and efficient nano catalysts,impenrovement of properties of hydrogen storage/desorption of materials.

轻质高容量储氢材料是当今储氢材料研究的热点之一。本项目针对LiAlH4、MgH2、NH3BH3和LiBH4等储放氢温度高、动力学慢等问题，创新性地提出高分散Co、Ni、Al-Ti催化剂制备及催化储放氢研究。拟制备C基Co/Ni、Al3Ti-TiH2纳米复合催化剂，探讨催化剂组成和尺寸对LiAlH4、MgH2、NH3BH3和LiBH4等的储放氢性能研究，优化该类催化剂制备条件。运用现代仪器（TEM、XRD、XPS、TG-DSC）、热力学方法及理论计算,揭示催化反应的机理和,建立此类储氢材料热力学数据库。本项目可为设计制备新型高分散纳米催化剂、改善轻金属氢化物、NH3BH3的储放氢提供重要的科学依据。

轻质高容量储氢材料是当今储氢材料研究的热点之一。本项目针对LiAlH4、NaAlH4、NH3BH3和LiBH4等储放氢温度高、动力学慢等问题，创新性地提出高分散催化剂制备及催化储放氢研究。设计并制备了非贵金属基催化剂（镍基、MnTiO3、NiCo2O4@rGO、Co@NMGC、CoNiP纳米片阵列）和贵金属基催化剂（Ru/MgAl-LDHs），并将它们应用于LiBH4、NaAlH4、NaBH4、NH3BH3等高容量储氢材料的性能改性，获得了具有优异性能的高容量储氢材料。例如，LiAlH4+7wt%NiCo2O4@rGO复合材料的初始放氢温度为62.7°C，在150°C的恒温条件下， 20min内可迅速放出4.0wt%H2。理论计算给出了催化剂电子结构，揭示了催化作用机制：NiCo2O4表面具有相对较低的能垒，能将正四面体[AlH4]-从LiAlH4晶体结构中拉出，并削弱了Al-H键能。同时，本项目研发了一系列Al基复合产氢材料（Al-LiH-氧化物复合材料、Al-BiOCl复合材料、Al-NaMgH3复合材料、Al-InCl3复合材料）和Nb基多元合金渗氢材料，掌握了制备方法和工艺，揭示了结构与性能之间的关系。本项目可为设计制备新型高分散纳米催化剂、改善轻金属氢化物、氨硼烷的储放氢提供重要的科学依据。