文献类型：期刊文献

英文题名：Strategies of alloying effect for regulating Pt-based H2-SCR catalytic activity

作者：Sun, Wei[1];Wang, Zhiqiang[2,3];Wang, Qian[1];Zaman, Waqas Qamar[1];Cao, Limei[1];Gong, Xue-Qing[2,3];Yang, Ji[1,4]

机构：[1]East China Univ Sci & Technol, State Environm Protect Key Lab Environm Risk Asse, Sch Resources & Environm Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Key Lab Adv Mat, Ctr Computat Chem, 130 Meilong Rd, Shanghai 200237, Peoples R China;[3]East China Univ Sci & Technol, Res Inst Ind Catalysis, 130 Meilong Rd, Shanghai 200237, Peoples R China;[4]Shanghai Inst Pollut Control & Ecol Secur, Shanghai 20002, Peoples R China

年份：2018

卷号：54

期号：68

起止页码：9502

外文期刊名：CHEMICAL COMMUNICATIONS

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000442385200029)】；

语种：英文

摘要：Alloying Pt with 3d transition metals results in the d-band center moving away from the Fermi level, creating compressive strain. The adsorption strength of the reactants should not be too strong or too weak. The presence of compressive strain, which can increase the orbital overlap between *H and *O, results in the reduction of energy barriers of H-assisted N-O bond activation in terms of the Langmuir-Hinshelwood (L-H) reaction route. Our findings provide guidelines to design more efficient H-2-SCR catalysts.