文献类型：期刊文献

英文题名：ZnO-supported palladium catalysts via ball milling as an effective heterogeneous catalyst for methanol steam reforming

作者：Yao, Xinqi[1];Yuan, Shuaishuai[1];Li, Chuandong[1];Wang, Lei[1];Yu, Xinhai[1];Tian, Pengfei[1];Tu, Shan-tung[1]

机构：[1]East China Univ Sci & Technol, Sch Mech & Power Engn, MOE, Key Lab Pressure Syst & Safety, Shanghai 200237, Peoples R China

年份：2024

卷号：358

外文期刊名：FUEL

收录：;EI(收录号：20234615056717);WOS:【SCI-EXPANDED(收录号:WOS:001111757100001)】；

基金：This study was financially supported by China Natural Science Foundation (Contract Nos. 21476073, 21176069 and 21878078) .

语种：英文

外文关键词：Methanol steam reforming; PdZn nanoparticle catalyst; Single -atom catalyst; Ball milling; DFT

摘要：Methanol steam reforming (MSR) is considered an efficient hydrogen production approach in fuel cell applications, with the Pd-Zn catalysts being the most widely used. Prevailing Pd-Zn catalysts face the challenge of minimizing the Pd loading. To tackle this challenge, a PdZn nanoparticle (NP) catalyst and a Pd1/ZnO singleatom catalyst (SAC) were fabricated via a ball milling process. With methanol conversion maintained at 99.5 % and CO concentration below 0.71 %, 2PdZn/Al2O3 NP catalyst (Pd loading of 2 wt%) exhibited superior antioxidation ability and stability for 100 h with a WHSV of 7.2 h-1 at 350 degrees C. The TOF of 2PdZn/Al2O3 NP is 1.4 times that of 0.2PdZn SAC (Pd loading of 0.2 wt%). Intermediate species methoxy (*CH3O) and formate (*CHOO) were observed from both 2PdZn/Al2O3 NP and 0.2PdZn SAC by in situ temperature programmed DRIFTS (TPDRIFTS). Density functional theory (DFT) calculations showed that the strong adsorption of water (H2O), formaldehyde (*CH2O) and hydroxyl (*OH) on Pd1/ZnO(0 0 1) surface of the SAC model resulted in higher activation energies of water dehydrogenation and *CH2OOH formation than PdZn(1 1 1) surface of the NP model. The 2PdZn/Al2O3 NP catalyst showed immense potential for the on-board hydrogen production for fuel cell vehicles.