ABINITIO CLUSTER-MODEL STUDY OF THE ELECTRONIC GROUND-STATE AND PHOTOEMISSION PROPERTIES OF NIN2 AND NICO - MODELS FOR CHEMISORPTION

被引:78
作者
KAO, CM [1 ]
MESSMER, RP [1 ]
机构
[1] GE,CTR CORP RES & DEV,SCHENECTADY,NY 12301
来源
PHYSICAL REVIEW B | 1985年 / 31卷 / 08期
关键词
D O I
10.1103/PhysRevB.31.4835
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:4835 / 4847
页数:13
相关论文
共 47 条
[1]   THEORETICAL-STUDIES OF CO/NI(100) - GEOMETRY, VIBRATIONAL FREQUENCIES AND IONIZATION-POTENTIALS FOR THE ON-TOP SITE [J].
ALLISON, JN ;
GODDARD, WA .
SURFACE SCIENCE, 1982, 115 (03) :553-568
[2]   STRUCTURE OF CO ADSORBED ON NI (100) [J].
ANDERSSON, S ;
PENDRY, JB .
SURFACE SCIENCE, 1978, 71 (01) :75-85
[3]   STRUCTURE OF CO ADSORBED ON CU(100) AND NI(100) [J].
ANDERSSON, S ;
PENDRY, JB .
PHYSICAL REVIEW LETTERS, 1979, 43 (05) :363-366
[4]   BONDING AND PHOTOEMISSION OF CHEMISORBED MOLECULES - MOLECULAR-ORBITAL CLUSTER MODEL-THEORY [J].
BAGUS, PS ;
HERMANN, K ;
SEEL, M .
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY, 1981, 18 (02) :435-452
[5]   PHOTOEMISSION AND THEORETICAL-STUDIES OF THE ELECTRONIC-STRUCTURE OF MOLECULAR NITROGEN ON NICKEL [J].
BAGUS, PS ;
BRUNDLE, CR ;
HERMANN, K ;
MENZEL, D .
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1980, 20 (03) :253-258
[6]  
BAIR RA, 1980, UNPUB GVB2P5 PROGRAM
[7]  
BOBROWICZ FW, 1977, MODERN THEORETICAL C, V3, P79
[8]   RAYLEIGH-SCATTERING DEPOLARIZATION RATIO AND MOLECULAR POLARIZABILITY ANISOTROPY FOR GASES [J].
BOGAARD, MP ;
BUCKINGHAM, AD ;
PIERENS, RK ;
WHITE, AH .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I, 1978, 74 :3008-3015
[9]   POLARIZATION OF LASER LIGHT SCATTERED BY GASES [J].
BRIDGE, NJ ;
BUCKINGHAM, AD .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1966, 295 (1442) :334-+
[10]   XPS AND UPS STUDIES OF ADSORPTION OF SMALL MOLECULES ON POLYCRYSTALLINE NI FILMS [J].
BRUNDLE, CR ;
CARLEY, AF .
FARADAY DISCUSSIONS, 1975, 60 :51-70