Hydrogen Diffusion Guided Design of Pt-Based Alloys for Inhibition of Butadiene Over-Hydrogenation
文献类型：期刊论文
| 作者 | Hu, Chaoquan2; Sun, Jiahan2; Wang, Dongjie3; Peng, Mi4; Shao, Mingyuan1,2; Zhu, Qingshan1,2; Ma, Ding4 |
| 刊名 | CHEMPHYSCHEM
 |
| 出版日期 | 2019-07-16 |
| 卷号 | 20期号:14页码:1804-1811 |
| 关键词 | butadiene catalyst design heterogeneous catalysis hydrogenation platinum |
| ISSN号 | 1439-4235 |
| DOI | 10.1002/cphc.201900380 |
| 英文摘要 | Alloying Pt with other metals is an effective strategy to tune its performance towards selective hydrogenation reactions. Herein, we have demonstrated a process to screen Pt-based alloys for inhibition of butadiene over-hydrogenation with a model comprising isolated single atoms (ISA) embedded into Pt(111). DFT calculations reveal that the diffusion energy barrier of H co-adsorbed with 1-butene is a key parameter for the screening. The output from the ISA model was validated by testing several typical Pt-based alloys towards butadiene hydrogenation. Furthermore, an unexpected higher selectivity to cis-2-butene compared to the trans isomer and 1-butene over the PtZn alloy was explored employing the ISA model. |
| WOS关键词 | SELECTIVE HYDROGENATION ; CATALYTIC-PROPERTIES ; 1,3-BUTADIENE HYDROGENATION ; INTERMETALLIC COMPOUNDS ; UNSATURATED ALDEHYDES ; STRUCTURAL-CHANGES ; RHODIUM CATALYSTS ; REACTION PATHWAYS ; IN-SITU ; PLATINUM |
| 资助项目 | National Natural Science Foundation of China (NFSC)[21606236] ; Center for Mesoscience, Institute of Process Engineering (IPE), Chinese Academy of Sciences (CAS)[COM2016A001] ; Center for Mesoscience, Institute of Process Engineering (IPE), Chinese Academy of Sciences (CAS)[MPCS-2017-A-02] |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000476917100005 |
| 出版者 | WILEY-V C H VERLAG GMBH |
| 资助机构 | National Natural Science Foundation of China (NFSC) ; Center for Mesoscience, Institute of Process Engineering (IPE), Chinese Academy of Sciences (CAS) |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/30482]  |
| 专题 | 中国科学院过程工程研究所 |
| 通讯作者 | Hu, Chaoquan; Zhu, Qingshan; Ma, Ding |
| 作者单位 | 1.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 2.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China 3.China Univ Petr, State Key Lab Heavy Oil Proc, Beijing 102249, Peoples R China 4.Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China |
| 推荐引用方式 GB/T 7714 | Hu, Chaoquan,Sun, Jiahan,Wang, Dongjie,et al. Hydrogen Diffusion Guided Design of Pt-Based Alloys for Inhibition of Butadiene Over-Hydrogenation[J]. CHEMPHYSCHEM,2019,20(14):1804-1811. |
| APA | Hu, Chaoquan.,Sun, Jiahan.,Wang, Dongjie.,Peng, Mi.,Shao, Mingyuan.,...&Ma, Ding.(2019).Hydrogen Diffusion Guided Design of Pt-Based Alloys for Inhibition of Butadiene Over-Hydrogenation.CHEMPHYSCHEM,20(14),1804-1811. |
| MLA | Hu, Chaoquan,et al."Hydrogen Diffusion Guided Design of Pt-Based Alloys for Inhibition of Butadiene Over-Hydrogenation".CHEMPHYSCHEM 20.14(2019):1804-1811. |
入库方式： OAI收割
来源：过程工程研究所
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