中国科学院大连化学物理研究所机构知识库
Advanced  
DICP OpenIR  > 中国科学院大连化学物理研究所  > 期刊论文
题名: Framework Fe Ions in Fe-ZSM-5 Zeolite Studied by UV Resonance Raman Spectroscopy and Density Functional Theory Calculations
作者: Sun, Keju1, 2;  Fan, Fengtao1, 2;  Xia, Haian1, 2;  Feng, Zhaochi1;  Li, Wei-Xue1;  Li, Can1
通讯作者: 李微雪 ;  李灿
刊名: JOURNAL OF PHYSICAL CHEMISTRY C
发表日期: 2008-10-16
DOI: 10.1021/jp802955s
卷: 112, 期:41, 页:16036-16041
收录类别: SCI
文章类型: Article
部门归属: 5
项目归属: 507,503
产权排名: 1;1
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Physical ;  Nanoscience & Nanotechnology ;  Materials Science, Multidisciplinary
研究领域[WOS]: Chemistry ;  Science & Technology - Other Topics ;  Materials Science
英文摘要: The transition metal containing zeolites show high selectivity and activity in many catalytic reactions under mild conditions; however, detailed characterization of transition metal site ions and the nature of the active sites remain elusive. Here, we present a study of the framework Fe ions in Fe-ZSM-5 zeolite via interplay between resonance Raman spectroscopy excited by 244 and 532 nm laser lines and density functional theory (DFT) calculations. Raman bands at 1165, 1115, 1005, and 516 cm(-1) from the framework iron ions in the framework of Fe-ZSM-5 were observed. On the basis of the DFT calculations, the bands at 1165, 1115, and 516 cm(-1) were attributed to v(0)(A(1)), v(1)(A(1)), and v(2)(A(1)) modes with totally symmetric vibration of FeO(4) tetrahedron in Fe-ZSM-5, originating from resonant enhanced Raman scattering, while the band at 1005 cm(-1) for V(6)(T(2)) was identified as a nontotally symmetric vibration of the FeO(4) tetrahedron from normal Raman scattering. The present work indicates that the resonance Raman bands at 500 and 1100 cm(-1) can be used as the spectral characteristics of the transition metal ions substituted in the framework of zeolites.
关键词[WOS]: INITIO MOLECULAR-DYNAMICS ;  TOTAL-ENERGY CALCULATIONS ;  AUGMENTED-WAVE METHOD ;  CO ADSORPTION ;  BASIS-SET ;  IRON ;  TITANIUM ;  TRANSITION ;  OXIDATION ;  CATALYSTS
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000259943300019
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/100947
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

Files in This Item:

There are no files associated with this item.


作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China

Recommended Citation:
Sun, Keju,Fan, Fengtao,Xia, Haian,et al. Framework Fe Ions in Fe-ZSM-5 Zeolite Studied by UV Resonance Raman Spectroscopy and Density Functional Theory Calculations[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2008,112(41):16036-16041.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Sun, Keju]'s Articles
 [Fan, Fengtao]'s Articles
 [Xia, Haian]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Sun, Keju]‘s Articles
 [Fan, Fengtao]‘s Articles
 [Xia, Haian]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace