Theory in heterogeneous catalysis -: An experimentalist's view

被引：18
作者：
Schlögl, R [1 ]
机构：
[1] MPG, Fritz Haber Inst, D-14195 Berlin, Germany
来源：
CATTECH | 2001年 / 5卷 / 03期
关键词：
D O I：
10.1023/A:1014012505414
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
This is a report of an inorganic chemist on the status of theoretical efforts in heterogeneous catalysis. It is intended to highlight trends and opportunities in the area. Only theories aiming at an atomistic description of reactions are considered. The examples are taken from the areas of interest of the author and are used to illustrate some of the general statements. No effort is made to enter into technical details of theoretical concepts or to give an account on current literature.
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页码：146 / 170
页数：25
相关论文
共 142 条
[1]   Acetylene cyclotrimerization on supported size-selected Pdn clusters (1≤n≤30):: one atom is enough! [J].
Abbet, S ;
Sanchez, A ;
Heiz, U ;
Schneider, WD ;
Ferrari, AM ;
Pacchioni, G ;
Rösch, N .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (14) :3453-3457
[2]  
Adam S, 1998, CHEM-EUR J, V4, P1458, DOI 10.1002/(SICI)1521-3765(19980807)4:8<1458::AID-CHEM1458>3.0.CO
[3]  
2-1
[4]   A KINETIC-MODEL OF METHANOL SYNTHESIS [J].
ASKGAARD, TS ;
NORSKOV, JK ;
OVESEN, CV ;
STOLTZE, P .
JOURNAL OF CATALYSIS, 1995, 156 (02) :229-242
[5]   Metal deposits on well-ordered oxide films [J].
Bäumer, M ;
Freund, HJ .
PROGRESS IN SURFACE SCIENCE, 1999, 61 (7-8) :127-198
[6]   Chemisorption of methane on Ni(100) and Ni(111) surfaces with preadsorbed potassium [J].
Bengaard, HS ;
Alstrup, I ;
Chorkendorff, I ;
Ullmann, S ;
Rostrup-Nielsen, JR ;
Norskov, JK .
JOURNAL OF CATALYSIS, 1999, 187 (01) :238-244
[7]   Design of a surface alloy catalyst for steam reforming [J].
Besenbacher, F ;
Chorkendorff, I ;
Clausen, BS ;
Hammer, B ;
Molenbroek, AM ;
Norskov, JK ;
Stensgaard, I .
SCIENCE, 1998, 279 (5358) :1913-1915
[8]   DENSITY-FUNCTIONAL THEORY CALCULATIONS OF THE ACTIVATION OF METHANOL BY A BRONSTED ZEOLITIC PROTON [J].
BLASZKOWSKI, SR ;
VANSANTEN, RA .
JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (30) :11728-11738
[9]  
BOEHM HP, 1983, CATAL REV SCI TECHNO, V4
[10]   Variations in the nature of metal adsorption on ultrathin Al2O3 films [J].
Bogicevic, A ;
Jennison, DR .
PHYSICAL REVIEW LETTERS, 1999, 82 (20) :4050-4053
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