Size hierarchy of gold clusters in nanogold-catalyzed acetylene hydrochlorination  

作　　者：Yifei Zhang Xinrui Gu Fatimah Kehinde Busari Sami Barkaoui Zhong-Kang Han Alfons Baiker Zhen Zhao Gao Li 

机构地区：[1]Institute of Catalysis for Energy and Environment, College of Chemistry and Chemical Engineering Shenyang Normal University, Shenyang, 110034, China [2]State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023, China [3]School of Materials Science and Engineering, Zhejiang University, Hangzhou, 310000, China [4]Department of Chemistry and Applied Biosciences, ETH, Hönggerberg, HCI, CH-8093, Zurich, Switzerland [5]University of Chinese Academy of Sciences, Beijing, 100049, China

出　　处：《Nano Research》2024年第11期9594-9600,共7页纳米研究（英文版）

基　　金：financial support by the National Natural Science Foundation of China(No.22172167).

摘　　要：Size hierarchy is a distinct feature of nanogold-catalysts as it can strongly affect their performance in various reactions. We developed a simple method to generate Au n S m nanoclusters of different sizes by thermal treatment of an Au144(PET)60 (PET: phenylethanethiol) parent cluster. These clusters, deposited on activated carbon, exhibit excellent catalytic performance in the hydrochlorination of acetylene. In-situ ultraviolet laser dissociation high-resolution mass spectrometry of the parent cluster in the presence of acetylene revealed a remarkable cluster size-dependence of acetylene adsorption, which is a crucial step in the hydrochlorination. Systematic density functional theory calculations of the reaction pathways on the differently-sized clusters provide deeper insight into the cluster size dependence of the adsorption energies of the reactants and afforded a scaling relationship between the adsorption energy of acetylene and the co-adsorption energies of the reactants (C_(2)H_(2) and HCl), which could enable a qualitative prediction of the optimal Au n S m cluster for the hydrochlorination of acetylene.

关 键 词：gold clusters size hierarchy AunSm acetylene hydrochlorination scaling relationship 

分 类 号：O64[理学—物理化学]