还原(数学)
星团(航天器)
核(代数)
结晶学
对称(几何)
材料科学
化学
化学物理
数学
纯数学
几何学
计算机科学
程序设计语言
作者
Yesen Tan,Guangyong Sun,Tingting Jiang,Dong Liang,Qinzhen Li,Sha Yang,Jinsong Chai,Shan Gao,Haizhu Yu,Manzhou Zhu
标识
DOI:10.1002/anie.202317471
摘要
Recently, CO2 hydrogenation had a new breakthrough resulting from the design of catalysts to effectively activate linear CO2 with symmetry-breaking sites. However, understanding the relationship between symmetry-breaking sites and catalytic activity at the atomic level is still a great challenge. In this study, a set of gold-copper alloy Au13 Cux (x=0-4) nanoclusters were used as research objects to show the symmetry-controlled breaking structure on the surface of nanoclusters with the help of manipulability of the Cu atoms. Among them, Au13 Cu3 nanocluster displays the highest degree of symmetry-breaking on its crystal structure compared with the other nanoclusters in the family. Where the three copper atoms occupying the surface of the icosahedral kernel unevenly with one copper atom is coordinately unsaturated (CuS2 motif relative to CuS3 motif). As expected, Au13 Cu3 has an excellent hydrogenation activity of CO2 , in which the current density is as high as 70 mA cm-2 (-0.97 V) and the maximum FECO reaches 99 % at -0.58 V. Through the combination of crystal structures and theoretical calculations, the excellent catalytic activity of Au13 Cu3 is revealed to be indeed closely related to its asymmetric structure.
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