Towards unifying the concepts of catalysis in confined space
文献类型：期刊论文
| 作者 | Guo, Chenxi2; Xiao, Jianping1,2 |
| 刊名 | Computational materials science
 |
| 出版日期 | 2019-04-15 |
| 卷号 | 161页码:58-63 |
| ISSN号 | 0927-0256 |
| DOI | 10.1016/j.commatsci.2019.01.039 |
| 通讯作者 | Xiao, jianping(xiao@dicp.ac.cn) |
| 英文摘要 | In this article, we reviewed the progress of theoretical and computational studies for confined catalysis in one-dimensional and two-dimensional systems. it was found that the chemical potential of reaction species was usually enhanced in confined space, validated in heterogeneous catalysis and electrocatalysis. tunable chemical potential of reaction species in confined nanoscale reactors is recognized as a feasible avenue to establish exceptional activity and selectivity of catalytic reactions. a key concept, namely, "confinement energy", has been defined based on our density functional theory calculations, which is able to unify a number of experimental and computational results. in addition, the concept of "confinement energy" has been able to successfully predict new experimental phenomena. |
| WOS关键词 | CARBON NANOTUBES ; THEORETICAL INSIGHTS ; OXYGEN-REDUCTION ; RATIONAL DESIGN ; CO METHANATION ; SILICATE ; IRON ; SELECTIVITY ; CATIONS ; ANIONS |
| WOS研究方向 | Materials Science |
| WOS类目 | Materials Science, Multidisciplinary |
| 语种 | 英语 |
| 出版者 | ELSEVIER SCIENCE BV |
| WOS记录号 | WOS:000462165100008 |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2372639 |
| 专题 | 大连化学物理研究所 |
| 通讯作者 | Xiao, Jianping |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China 2.Westlake Univ, Sch Sci, Inst Nat Sci, Westlake Inst Adv Study, Hangzhou 310024, Zhejiang, Peoples R China |
| 推荐引用方式 GB/T 7714 | Guo, Chenxi,Xiao, Jianping. Towards unifying the concepts of catalysis in confined space[J]. Computational materials science,2019,161:58-63. |
| APA | Guo, Chenxi,&Xiao, Jianping.(2019).Towards unifying the concepts of catalysis in confined space.Computational materials science,161,58-63. |
| MLA | Guo, Chenxi,et al."Towards unifying the concepts of catalysis in confined space".Computational materials science 161(2019):58-63. |
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来源：大连化学物理研究所
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