Chemisorption of H, Cl, Na, O, and S atoms on Ni(100) surfaces: A theoretical study using Ni₂₀ clusters

References

• Ibach , H. and Bruchmann , D. 1980 . Phys. Rev. Lett. , 44 : 36
   Web of Science ®Google Scholar
• Wagner , C. D. 1978 . J. Vac. Sci. Technol. , 15 : 518
   Web of Science ®Google Scholar
• Ngyyen , T. , Cinti , R. and Capiomont , Y. 1979 . Surf. Sci. , 87 : 613
   Google Scholar
• Christmann , K. , Behm , R. J. , Ertl , G. , van Hove , M. and Weinberg , W. 1979 . J. Chem. Phys. , 70 : 4168
   Google Scholar
• McCarty , J. and Madix , R. J. 1975 . J. Catal. , 38 : 402
   Web of Science ®Google Scholar
• Smedley , T. , Rappe , A. K. and Goddard , W. A. III . For S, Cl: to be published; for Ni: Sollen-berger, M., M.S. thesis, California Institute of Technology, Pasadena, 1977; see Appendix I; for Na: Melius, C. F. and Goddard, W. A., III, Phys. Rev. A, 10, 1528, 1974
   Google Scholar
• Wachters , A. J. H. 1970 . J. Chem. Phys. , 52 : 1033
   Web of Science ®Google Scholar
• Upton , T. H. , Goddard , W. A. iii and Melius , C. F. 1979 . J. Vac. Sci. Technol , 16 : 531
   Google Scholar
• Pearson , W. P. 1958 . Handbook of Lattice Spacings and Structures of Metals and Alloys , Elmsford, N. Y. : Pergamon Press .
   Google Scholar
• Melius , C. F. , Upton , T. H. and Goddard , W. A. III . 1978 . Solid State Commun. , 28 : 501
   Web of Science ®Google Scholar
• Moore , C. E. 1971 . Vol. II , NSRDS-NBS 35
   Google Scholar
• Holscher , A. A. 1966 . Surf. Sci. , 4 : 89
   Google Scholar
• Gaydon , A. G. 1969 . Dissociation Energies and Spectra of Diatomic Molecules , London : Chapman and Hall .
   Google Scholar
• Upton , T. H. and Goddard , W. A. III . 1979 . Phys. Rev. Lett. , 42 : 472
   Web of Science ®Google Scholar
• Benson , S. 1976 . Thermochemical Kinetics , New York : John Wiley & Sons .
   Google Scholar
• Walch , S. P. and Goddard , W. A. III . 1978 . Surf. Sci. , 72 : 645
   Google Scholar
• Walch , S. P. and Goddard , W. A. III . 1978 . 75 : 609 Solid State Commun., 23, 907, 1977
   Google Scholar
• Huber , K. P. and Herzberg , G. 1979 . Constants of Diatomic Molecules , New York : van Nostrand Reinhold .
   Google Scholar
• Andersson , S. 1978 . Chem. Phys. Lett. , 55 : 185
   Web of Science ®Google Scholar
• Ho , W. 1979 . Ph.D. thesis Philadelphia : University of Pennsylvania .
   Google Scholar
• Lapujoulade , J. and Neil , K. S. 1973 . Surf. Sci. , 35 : 288
   Google Scholar
• Lapujoulade , J. and Neil , K. S. 1972 . J. Chem. Phys. , 57 : 3535
   Google Scholar
• Christmann , K. , Schober , O. , Ertl , G. and Neuman , H. 1974 . J. Chem. Phys. , 60 : 4528
   Web of Science ®Google Scholar
• Comer , R. 1957 . J. Chem. Phys. , 27 : 1099
   Google Scholar
• Koetzle , T. , Müller , J. , Tipton , J. , Hart , D. and Bau , R. 1979 . J. Am. Chem. Soc. , 101 : 5631
   Google Scholar
• Demuth , J. E. 1977 . Surf. Sci. , 65 : 365
   Google Scholar
• Himpsel , F. and Eastman , D. E. 1978 . Phys. Rev. Lett. , 41 : 507
   Web of Science ®Google Scholar
• Demulh , J. E. , Jepsen , D. and Marcus , P. 1975 . J. Phys. C , 8 : L25 – 30 .
   Google Scholar
• Gerlach , R. L. and Rhodin , T. N. 1970 . Surf. Sci. , 19 : 403
   Google Scholar
• Demuth , J. E. , Jepsen , D. W. and Marcus , P. M. 1973 . Phys. Rev. Lett. , 31 : 540
   Web of Science ®Google Scholar
• Windawi , H. and Katzer , J. R. 1979 . J. Vac. Sci. Technol , 16 : 497
   Web of Science ®Google Scholar
• Clark , A. 1970 . Theory of Adsorption and Catalysis , New York : Academic Press .
   Google Scholar
• Wagman , D. , Evans , W. , Parker , V. , Halow , 1. , Bailey , S. and Schumm , R. 1969 . Selected Values of Chemicals Thermodynamic Properties , Washington, D. C. : National Bureau of Standards .
   Google Scholar
• McCarty , J. , Wise , H. and Wood , B. J. 1979 . J. Vac. Sci. Technol. , 16 : 566
   Google Scholar
• Hagstrum , H. and Becker , G. E. 1977 . J. Vac. Sci. Technol. , 14 : 369
   Google Scholar
• Weeks , S. and Plummer , E. 1977 . Solid State Commun. , 21 : 695
   Web of Science ®Google Scholar
• Fisher , G. B. 1977 . Surf. Sci. , 62 : 31
   Web of Science ®Google Scholar
• McRae , E. , Aberdam , D. , Baudoing , R. and Gauthier , Y. 1978 . Surf. Sci. , 78 : 518
   Google Scholar
• Weeks , S. and Plummer , E. in press . Chem. Phys. Lett. ,
   Google Scholar
• Anderson , S. 1979 . Surf. Sci. , 79 : 385
   Google Scholar
• Marcus , P. , Demuth , J. and Jepsen , D. 1975 . Surf. Sci. , 53 : 501
   Web of Science ®Google Scholar
• van Hove , M. and Tong , S. 1975 . J. Vac. Sci. Technol. , 12 : 230
   Web of Science ®Google Scholar
• Demuth , J. E. , Jepsen , D. and Marcus , P. 1973 . Solid State Commun. , 13 : 1311 J. Phys. C, 6, L307, 1973
   Google Scholar
• Demuth , J. E. and Rhodin , T. N. 1974 . Surf. Sci. , 45 : 249
   Web of Science ®Google Scholar
• Toyoshima , I. and Somorjai , G. A. 1979 . Catal. Rev. , 19 : 105
   Web of Science ®Google Scholar
• Eastman , D. and Cashion , J. 1971 . Phys. Rev. Lett. , 27 : 1520
   Web of Science ®Google Scholar
• Kuppers , J. and Ertl , G. 1978 . Surf. Sci. , 77 : L647
   Google Scholar
• Miller , J. , Ling , D. , Lindau , I. , Collins , D. and Spicer , W. 1978 . Surf. Sci. , 77 : L651
   Google Scholar
• Jacobi , K. , Schemer , M. , Kambe , K. and Forstmann , F. 1977 . Solid State Commun. , 22 : 17
   Web of Science ®Google Scholar
• Bradshaw , A. private communication
   Google Scholar
• Melius , C. F. , Olafson , B. D. and Goddard , W. A. III . 1974 . Chem. Phys. Lett. , 28 : 457
   Web of Science ®Google Scholar
• Melius , C. F. , Upton , T. H. and Goddard , W. A. III . Solid State Commun. , submitted
   Google Scholar
• Upton , T. H. 1980 . Ph.D. thesis Pasadena : California Institute of Technology .
   Google Scholar
• Dunning , T. H. Jr. and Hay , P. J. 1977 . Modern Theoretical Chemistry , Edited by: Schaefer , H. F. Vol. 3 , New York : Plenum Press .
   Google Scholar