DICP OpenIR
Chabazite Architecture Dominates the Structure of SAPO-34's Surface Methoxy Species
Zang, Kailu1,2; Zhang, Wenna2,3; Huang, Jindou3; Feng, Pei1
Corresponding AuthorFeng, Pei(pfeng18@vip.163.com)
KeywordZeolites Reaction intermediates Density functional theory Methanol-to-olefins SAPO-34 Surface methoxy species Chabazite architecture Steric hindrance
Source PublicationCATALYSIS LETTERS
2019-08-01
ISSN1011-372X
DOI10.1007/s10562-019-02774-y
Volume149Issue:8Pages:2104-2109
Funding ProjectDalian Institute of Chemical Physics[DICP DMTO201601]
Funding OrganizationDalian 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
WOS SubjectChemistry, Physical
WOS Research AreaChemistry
WOS KeywordINITIO MOLECULAR-DYNAMICS ; CARBON-CARBON BOND ; TOTAL-ENERGY CALCULATIONS ; BRONSTED ACID SITES ; METHANOL ; ZEOLITE ; HYDROCARBONS ; CONVERSION ; MECHANISM ; TRANSITION
AbstractFour 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]
Language英语
Funding OrganizationDalian 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
WOS IDWOS:000470669800007
PublisherSPRINGER
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/171956
Collection中国科学院大连化学物理研究所
Corresponding AuthorFeng, Pei
Affiliation1.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
Recommended Citation
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.
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