Predictive approach of heterogeneous catalysis

• 来源期刊: 国家科学评论（英文版）
• 年，卷（期）: 2018,（5）
• 页码范围: 633-635
• 页数: 3页
• 语种: 英文
• DOI: 10.1093/nsr/nwy069

摘要

'Predictive catalysis' or'catalysis by design'has recently advanced heterogeneous catalysis by using the conceptualtool of surface fragments [1] such as'surface organometallic fragments' (SOMF)or'surface coordination fragments' (SCF) to achieve and understand a presumed catalytic cycle (see Fig.1).One or several fragments of the molecule are linked to one metal atom linked to the surface ([M]-H,[M]-R,[M]=CR2,[M]≡CR,[M]=O,[M]=NR,[M]-O-OH in which [M] is a surface metal atom linked to an oxide by one,two or several sigma or pi bonds).Surface fragments are the logical continuation of the abundant work published in the field of Surface Organometallic Chemistry (SOMC).