Kim Inho, Seo Myung-Gi, Choi Changhyeok, Kim Jin Soo, Jung Euiyoung, Han Geun-Ho, Lee Jae-Chul, Han Sang Soo, Ahn Jae-Pyoung, Jung Yousung, Lee Kwan-Young, Yu Taekyung
Department of Chemical Engineering, College of Engineering , Kyung Hee University , Yongin 17140 , Korea.
Graduate School of EEWS , Korea Advanced Institute of Science and Technology (KAIST) , Daejeon 34141 , Korea.
ACS Appl Mater Interfaces. 2018 Nov 7;10(44):38109-38116. doi: 10.1021/acsami.8b14166. Epub 2018 Oct 26.
The catalytic properties of materials are determined by their electronic structures, which are based on the arrangement of atoms. Using precise calculations, synthesis, analysis, and catalytic activity studies, we demonstrate that changing the lattice constant of a material can modify its electronic structure and therefore its catalytic activity. Pd/Au core/shell nanocubes with a thin Au shell thickness of 1 nm exhibit high HO production rates due to their improved oxygen binding energy (Δ E) and hydrogen binding energy (Δ E), as well as their reduced activation barriers for key reactions.
材料的催化性能由其基于原子排列的电子结构决定。通过精确的计算、合成、分析和催化活性研究，我们证明改变材料的晶格常数可以改变其电子结构，进而改变其催化活性。具有1纳米薄金壳厚度的钯/金核壳纳米立方体由于其改善的氧结合能（ΔE）和氢结合能（ΔE）以及关键反应的活化能垒降低，表现出高的羟基自由基生成速率。
