糠醇
糠醛
选择性
密度泛函理论
化学工程
合金
催化作用
材料科学
相(物质)
化学
酒
有机化学
计算化学
冶金
工程类
作者
Minki Jun,Heesu Yang,Dong-Yong Kim,Gi Joo Bang,Minah Kim,Haneul Jin,Taehyun Kwon,Hionsuck Baik,Jae Hak Sohn,Yousung Jung,Heejin Kim,Kwangyeol Lee
标识
DOI:10.1002/smtd.202100400
摘要
Alloy structures with high catalytic surface areas and tunable surface energies can lead to high catalytic selectivity and activities. Herein, the synthesis of sponge-like Pd3 Pb multiframes (Pd3 Pb MFs) is reported by using the thermodynamically driven phase segregation, which exhibit high selectivity (93%) for the conversion of furfural to furfuryl alcohol (FOL) under mild conditions. The excellent catalytic performance of the Pd3 Pb MF catalysts is attributed to the high surface area and optimized surface energy of the catalyst, which is associated with the introduction of Pb to Pd. Density functional theory calculations show that the binding energy of FOL to the surface energy-tuned Pd3 Pb MF is sufficiently lowered to prevent side reactions such as over-hydrogenation of FOL.
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