Molecular/Atomic Design of Catalytic Sites of High-Performance

A01组的目的是考虑到活性中心的明确描述和环境催化的实际条件，在原子/分子水平上为独特的反应场设计活性中心。在(1)杂多酸催化剂的分子设计和应用领域取得了成功的成果；(2)表面科学和理论化学作为催化剂设计的工具；(3)模型反应用于独特反应场的提出和鉴定。

The purpose of A01 group was to design active centers for the unique reaction field at atomic/molecular levels, taking into account the clear descriptions of the active centers and actual conditions of environmental catalysis. Successful achievements have been obtained in (1) the fields of heteropolyacids catalysts for molecular design and the application, (2) surface science and theoretical chemistry as tools for catalyst design and (3) model reactions for the proposal of unique reaction fields and the indentification.