摘要：光催化氧还原制备过氧化氢具有节能、环保等优点.然而,低活性以及低选择性的问题限制了其实际应用.基于金属离子耦合电子转移机制,本文通过浸渍-煅烧法合成了原子分散的钪路易斯酸位点修饰的氮化碳,光合成过氧化氢速率高达55μmol h^(-1),是氮化碳的6.2倍.光催化性能的提升归因于原子分散钪路易斯酸位点与·O_(2)^(-)结合,提高了O_(2)的得电子能力,减少了·O_(2)^(-)逆反应的发生,促进了氧还原反应进行.密度泛函理论模拟及Koutecky-Levich分析表明,钪原子的引入减少了O–O键的断裂,提高了合成过氧化氢的选择性.本研究提出了一种路易斯酸单金属位点光催化剂设计新概念,可同时提升催化反应活性及选择性.

摘要：The design of non-noble metal heterogeneous catalyst with superior performance for selective hydrogenation or transfer hydrogenation of nitroarenes to amines is significant but ***,a single-atom Fe supported by nitrogen-doped carbon(Fe_(1)/N-C)catalyst is *** Fe_(1)/N-C sample shows superior performances for the selective hydrogenation and transfer hydrogenation of nitrobenzene to aniline at different *** functional theory(DFT)calculations show that the superior catalytic activity for the selective hydrogenation at lower temperatures could be attributed to the effective activation of the reactant and intermediates by the Fe_(1)/***,the excellent performance of Fe_(1)/N-C for the selective transfer hydrogenation could be attributed to that the reaction energy barrier for dehydrogenation of isopropanol can be overcome by elevated temperatures.

摘要：氢能作为一种清洁能源,已成为全球能源战略的重要组成部分,也是实现全球“碳中和”的必要途径之一.在可再生电力的驱动下,水电解法有望成为实现“零碳”排放的一种理想的长期制氢方法.与传统合金相比,高熵合金由于其独特的结构特征,包括占位无序和晶格有序,可提供更多的催化活性位点.它们在水解催化剂领域具有广泛的应用前景.本文综述了电解水的机理、水解过程中高熵合金的催化原理,以及高熵合金作为电解水催化剂的最新研究进展.总结了新型高熵合金设计方面存在的难点及其应用潜力,重点讨论了高熵合金在水解催化过程中表面形态和催化活性之间的联系.最后归纳了高熵合金的组成调控及其在水电解等新兴领域的可能应用前景.