DFT study and NBO analysis of chemisorption of acrylonitile on Cu(111)

被引：0
|
作者：
Xia, Shu-Wei
Xu, Xiang
Yu, Hong
Zhang, Hui-Ling
机构：
[1] Key Lab. of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, Qingdao 266003, China
[2] College of Sciences, Qingdao Agricultural University, Qingdao 266109, China
来源：
Gaodeng Xuexiao Huaxue Xuebao/Chemical Journal of Chinese Universities | 2007年 / 28卷 / 04期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
页码：751 / 754
相关论文
共 50 条
  • [1] DFT study and NBO analysis of chemisorption of acrylonitile on Cu(111)
    Xia Shu-Wei
    Xu Xiang
    Yu Hong
    Zhang Hui-Ling
    CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2007, 28 (04): : 751 - 754
  • [2] A DFT study on the chemisorption of NO on Cu2O(111) surface
    Sun Bao-Zhen
    Chen Wen-Kai
    Liu Shu-Hong
    Cao Mei-Juan
    Lu Chun-Hai
    Xu Ying
    CHINESE JOURNAL OF INORGANIC CHEMISTRY, 2006, 22 (07) : 1215 - 1221
  • [3] THE CHEMISORPTION OF HYDROGEN ON CU(111) - A DYNAMICAL STUDY
    FORNI, A
    WIESENEKKER, G
    BAERENDS, EJ
    TANTARDINI, GF
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1994, 52 (04) : 1067 - 1080
  • [4] DFT study of the chemisorption of acrylonitrile on the Cu(100) surface
    Xia, SW
    Gao, LN
    Xu, X
    Sun, YL
    Xia, SW
    ACTA CHIMICA SINICA, 2006, 64 (01) : 27 - 31
  • [5] A computational DFT analysis of OH chemisorption on catalytic Pt(111) nanoparticles
    Cheng-Xian Lin
    Mikhail Sekachev
    Zhiyu Hu
    Don Dareing
    Journal of Nanoparticle Research, 2010, 12 : 865 - 876
  • [6] A computational DFT analysis of OH chemisorption on catalytic Pt(111) nanoparticles
    Lin, Cheng-Xian
    Sekachev, Mikhail
    Hu, Zhiyu
    Dareing, Don
    JOURNAL OF NANOPARTICLE RESEARCH, 2010, 12 (03) : 865 - 876
  • [7] The chemisorption of NO on Si(111)-7 x 7 surface: a DFT study
    Su, Z
    Lu, X
    Zhang, QN
    CHEMICAL PHYSICS LETTERS, 2003, 375 (1-2) : 106 - 112
  • [8] Methanol decomposition on Cu(111): A DFT study
    Greeley, J
    Mavrikakis, M
    JOURNAL OF CATALYSIS, 2002, 208 (02) : 291 - 300
  • [9] CHEMISORPTION OF CU ONTO NI(111) - COMPARISON WITH CU CHEMISORPTION ON SIMPLE METAL
    ABBATI, I
    BRAICOVICH, L
    FASANA, A
    PICCO, P
    ROSSI, G
    PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1980, 101 (01): : K7 - K10
  • [10] CHEMISORPTION AND VIBRATION OF HYDROGEN ON CU(111)
    GUNDERSEN, K
    HAMMER, B
    JACOBSEN, KW
    NORSKOV, JK
    LIN, JS
    MILMAN, V
    SURFACE SCIENCE, 1993, 285 (1-2) : 27 - 30
12345