COVALENT EFFECTS IN THE EFFECTIVE-MEDIUM THEORY OF CHEMICAL-BINDING - HYDROGEN HEATS OF SOLUTION IN THE 3D-METALS

被引:367
作者
NORSKOV, JK [1 ]
机构
[1] AARHUS UNIV, INST PHYS, DK-8000 AARHUS, DENMARK
来源
PHYSICAL REVIEW B | 1982年 / 26卷 / 06期
关键词
D O I
10.1103/PhysRevB.26.2875
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:2875 / 2885
页数:11
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共 31 条
[11]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&
[12]  
Kornelsen E. V., 1972, Radiation Effects, V13, P227, DOI 10.1080/00337577208231184
[13]  
KORNELSEN EV, 1974, APPLICATION ION BEAM, P521
[14]  
Mackintosh A.R., 1980, ELECTRONS FERMI SURF
[15]   RARE-GAS-METAL PAIR POTENTIAL - HE-VACANCY INTERACTION [J].
MANNINEN, M ;
NORSKOV, JK ;
UMRIGAR, C .
JOURNAL OF PHYSICS F-METAL PHYSICS, 1982, 12 (02) :L7-L11
[16]  
MANNINEN M, UNPUB
[17]   SOLUBILITY OF HYDROGEN IN RHODIUM, RUTHENIUM, IRIDIUM AND NICKEL [J].
MCLELLAN, RB ;
OATES, WA .
ACTA METALLURGICA, 1973, 21 (03) :181-185
[18]  
MORUZZI VL, 1978, CALCULATED ELECTRONI
[19]   TRENDS IN HYDROGEN CHEMISORPTION ON TRANSITION-METALS [J].
MUSCAT, JP .
SURFACE SCIENCE, 1981, 110 (02) :389-399
[20]   EMBEDDED CLUSTER CALCULATIONS FOR HYDROGEN CHEMISORPTION ON THE (111) SURFACES OF FCC CO, NI, CU, RH, PD AND AG [J].
MUSCAT, JP ;
NEWNS, DM .
SURFACE SCIENCE, 1980, 99 (03) :609-630