LCAO STUDIES OF HYDROGEN CHEMISORPTION ON NICKEL .1. TIGHT-BINDING CALCULATIONS FOR ADSORPTION ON PERIODIC SURFACES

被引:137
作者
FASSAERT, DJM [1 ]
VANDERAVOIRD, A [1 ]
机构
[1] UNIV NIJMEGEN,INST THEORET CHEM,NIJMEGEN,NETHERLANDS
关键词
D O I
10.1016/0039-6028(76)90391-5
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
引用
收藏
页码:291 / 312
页数:22
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共 61 条
[1]   MOLECULAR-ORBITAL INVESTIGATION OF CHEMISORPTION .1. HYDROGEN ON TUNGSTEN (100) SURFACE [J].
ANDERS, LW ;
HANSEN, RS ;
BARTELL, LS .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (10) :5277-5287
[2]   VALENCE ORBITAL IONIZATION POTENTIALS FROM ATOMIC SPECTRAL DATA [J].
BASCH, H ;
VISTE, A ;
GRAY, HB .
THEORETICA CHIMICA ACTA, 1965, 3 (05) :458-&
[3]   Theory of Brilloum zones and symmetry properties of wave functions in crystals [J].
Bouckaert, LP ;
Smoluchowski, R ;
Wigner, E .
PHYSICAL REVIEW, 1936, 50 (01) :58-67
[4]   ENERGY BAND STRUCTURE OF COPPER [J].
BURDICK, GA .
PHYSICAL REVIEW, 1963, 129 (01) :138-&
[5]   SELF-CONSISTENT CALCULATION OF ENERGY-BANDS IN FERROMAGNETIC NICKEL [J].
CALLAWAY, J ;
WANG, CS .
PHYSICAL REVIEW B, 1973, 7 (03) :1096-1103
[6]   ADSORPTION OF HYDROGEN ON NICKEL SINGLE-CRYSTAL SURFACES [J].
CHRISTMANN, K ;
SCHOBER, O ;
ERTL, G ;
NEUMANN, M .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (11) :4528-4540
[7]   ENERGY BANDS IN FERROMAGNETIC NICKEL [J].
CONNOLLY, JW .
PHYSICAL REVIEW, 1967, 159 (02) :415-&
[8]   BINDING ENERGIES OF TRANSITION-METAL ATOMS ADSORBED ON A TRANSITION METAL [J].
CYROTLAC.F .
PHYSICAL REVIEW B-SOLID STATE, 1971, 4 (08) :2406-+
[9]   LOCAL DENSITIES OF STATES ON ADSORBATES ON A NARROW-BAND SOLID [J].
CYROTLACKMANN, F ;
DESJONQUERES, MC ;
GASPARD, JP .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1974, 7 (05) :925-946
[10]  
CYROTLACKMANN F, 1970, J PHYS PARIS C S, V1, P67