AB-INITIO CALCULATIONS ON THE ADSORPTION OF H, O, AND CO ATOP CU-2+ ON MGO(001)

被引:2
作者
BACALIS, NC [1 ]
KUNZ, AB [1 ]
机构
[1] UNIV ILLINOIS,MAT RES LAB,URBANA,IL 61801
来源
PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1989年 / 156卷 / 02期
关键词
D O I
10.1002/pssb.2221560218
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
引用
收藏
页码:545 / 560
页数:16
相关论文
共 36 条
[11]   CATALYTIC SYNTHESIS OF METHANOL FROM CO-H2 .1. PHASE COMPOSITION, ELECTRONIC PROPERTIES, AND ACTIVITIES OF THE CU-ZNO-M2O3 CATALYSTS [J].
HERMAN, RG ;
KLIER, K ;
SIMMONS, GW ;
FINN, BP ;
BULKO, JB ;
KOBYLINSKI, TP .
JOURNAL OF CATALYSIS, 1979, 56 (03) :407-429
[12]  
HUZINAGA S, UNPUB
[13]  
KLIER K, 1978, EPRIAF694
[14]   HETEROGENEOUS CATALYSIS [J].
KUMMER, JT .
MATERIALS SCIENCE AND ENGINEERING, 1976, 25 (SEP-O) :19-22
[15]   UNRESTRICTED HARTREE-FOCK APPROACH TO CLUSTER CALCULATIONS .2. INTERACTION OF CLUSTER AND ENVIRONMENT [J].
KUNZ, AB ;
KLEIN, DL .
PHYSICAL REVIEW B, 1978, 17 (12) :4614-4619
[16]  
KUNZ AB, 1977, CHEM PHYS LETT, V41, P18
[17]   PHOTOEMISSION OF BACKBONDING ELECTRONS FROM CO CHEMISORBED ON CU(111) [J].
LINDGREN, SA ;
PAUL, J ;
WALLDEN, L .
CHEMICAL PHYSICS LETTERS, 1981, 84 (03) :487-490
[18]   ELECTRON PARAMAGNETIC RESONANCE OF OXYGEN ON ZNO AND ULTRAVIOLET-IRRADIATED MGO [J].
LUNSFORD, JH ;
JAYNE, JP .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (04) :1487-&
[19]   STUDY OF CO RADICALS ON MAGNESIUM OXIDE WITH ELECTRON PARAMAGNETIC RESONANCE TECHNIQUES [J].
LUNSFORD, JH ;
JAYNE, JP .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (04) :1492-&
[20]  
MAKSIMOV NG, 1972, KINET KATAL, V13, P446