催化作用
兴奋剂
氢气储存
化学
化学工程
材料科学
氢
有机化学
光电子学
工程类
作者
Tatsuya Joutsuka,Ryu Hamamura,Kakeru Fujiwara,Tetsuo Honma,Masahiko Nishijima,Ryuji Kikuchi
标识
DOI:10.1016/j.ijhydene.2022.04.295
摘要
The combination of experiments and simulations revealed the structural and electronic origins of Cu-doped MgAl 2 O 4 spinel-type oxides, which we developed as the catalyst precursor for CO 2 -to-methanol hydrogenation. When the doping was high, elongated O–Cu octahedrally coordinated [CuO 6 ] el was confirmed in the spinel structure. As the amount decreased, [CuO 6 ] el was deformed to short O–Cu octahedrally coordinated [CuO 6 ] s . Simultaneously, O atoms surrounding Cu atoms became more negatively charged, and Cu nanoparticle with a size <10 nm was formed by H 2 reduction. The Cu nanoparticles derived from [CuO 6 ] s was highly selective to CO 2 -to-methanol hydrogenation. • Cu-doped MgAl 2 O 4 was developed for CO 2 -to-methanol hydrogenation. • H 2 reduction with low Cu doping yields Cu nanoparticles with size <10 nm. • The short O–Cu octahedrally coordinated [CuO 6 ] s was found as decreasing Cu loading. • DFT calculations revealed that the O atoms of [CuO 6 ] s are more negatively charged.
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