Chabazite Architecture Dominates the Structure of SAPO-34's Surface Methoxy Species
文献类型：期刊论文
| 作者 | Zang, Kailu1,2; Zhang, Wenna2,3; Huang, Jindou3; Feng, Pei1 |
| 刊名 | CATALYSIS LETTERS
 |
| 出版日期 | 2019-08-01 |
| 卷号 | 149期号:8页码:2104-2109 |
| 关键词 | Zeolites Reaction intermediates Density functional theory Methanol-to-olefins SAPO-34 Surface methoxy species Chabazite architecture Steric hindrance |
| ISSN号 | 1011-372X |
| DOI | 10.1007/s10562-019-02774-y |
| 通讯作者 | Feng, Pei(pfeng18@vip.163.com) |
| 英文摘要 | Four types of SAPO-34's surface methoxy species (CH3-SAPO-34) structures have been studied by periodic density functional theory calculations. The most stable CH3-SAPO-34 structure is the methyl cation locating on the framework oxygen anion site O(z1), which is at the middle position of a cha composite building unit. [GRAPHICS] |
| WOS关键词 | INITIO MOLECULAR-DYNAMICS ; CARBON-CARBON BOND ; TOTAL-ENERGY CALCULATIONS ; BRONSTED ACID SITES ; METHANOL ; ZEOLITE ; HYDROCARBONS ; CONVERSION ; MECHANISM ; TRANSITION |
| 资助项目 | Dalian Institute of Chemical Physics[DICP DMTO201601] |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000470669800007 |
| 出版者 | SPRINGER |
| 资助机构 | Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/171955]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 通讯作者 | Feng, Pei |
| 作者单位 | 1.Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, Dalian 116023, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Chinese Acad Sci, Natl Engn Lab Methanol Olefins, iChEM Collaborat Innovat Ctr Chem Energy Mat, Dalian Inst Chem Phys,Dalian Natl Lab Clean Energ, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zang, Kailu,Zhang, Wenna,Huang, Jindou,et al. Chabazite Architecture Dominates the Structure of SAPO-34's Surface Methoxy Species[J]. CATALYSIS LETTERS,2019,149(8):2104-2109. |
| APA | Zang, Kailu,Zhang, Wenna,Huang, Jindou,&Feng, Pei.(2019).Chabazite Architecture Dominates the Structure of SAPO-34's Surface Methoxy Species.CATALYSIS LETTERS,149(8),2104-2109. |
| MLA | Zang, Kailu,et al."Chabazite Architecture Dominates the Structure of SAPO-34's Surface Methoxy Species".CATALYSIS LETTERS 149.8(2019):2104-2109. |
入库方式： OAI收割
来源：大连化学物理研究所
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