DOI QR코드

DOI QR Code

The Hydrogen Atom in Interstices of Pd Cluster

  • Lee Keun Woo (Department of Chemistry, Seoul National University) ;
  • Kim Hojing (Research Institute for Basic Science, Seoul National University)
  • Published : 1992.08.20

Abstract

The electronic structure change caused by insertion of hydrogen into the interstices of Pd cluster is studied. Several properties such as energy, reduced overlap population (ROP), electon density (ED) and density of states (DOS) are calculated by Extended Huckel Method. Various types of clusters are considered. The same is performed on Ni and Pt and all the results are compared. The results show that the hydrogen atom in Pd is stabilized remarkably but its wave function is almost unperturbed. The fact is compatible with noticeable solubility of hydrogen in Pd but may not be a positive enough evidence to rationalize the claimed cold fusion phenomenon. It is also found that a remarkable charge transfer from Pd atom to hydrogen atom occurs.

Keywords

References

  1. J. Electronal. Chem. v.261 M. Fleishmann;S. Pons
  2. Nature v.338 S. E. Jones;E. P. Parmer;J. B. Czirr;D. L. Decker;G. L. Jensen;J. M. Thorne;S. F. Taylor;J. Rafelski
  3. Phys. Rev. B. v.40 no.3 H. Chen;N. E. Brener;J.Callaway
  4. Europhys. Lett. v.10 no.5 F. Marchesoni;C. Presilla;F. Sacchetti
  5. Phys. Status Solidi B. v.156 no.1 S. Fujita
  6. Phys. Rev. Lett. v.62 no.25 J. F. Zieger;T. H. Zabel; J. J. Cuomo; V. A. GargillⅢ;E. J. Sullivan;A. D. Marwick
  7. Phys. Lett. A. v.138 no.1 J. W. Mintmire;B. I. Dunlap; D. W. Brenner;R. C. Mowrey; H. D. Ladouceur; P. P. Schmidt:C. T. White;W. E. O'Grady
  8. Nuovo Cimento Soc. Ital. Fis.A v.101A no.5 T. Bressani;E. Del Giudice;G. Preparata
  9. Electronchim. Acta v.34 no.6 G. Horanyi
  10. Phys. Rev. C. Nucl. Phys. v.40 no.2 C. J. Benesh;J. P. Vary
  11. Nature(London) v.340 M. Gai;S. L. Rugari;R. H. France;B. J. Lund;Z. Zhao;A. J. Davenport;H. S. Isaacs;K. G. Lynn
  12. Nature(London) v.340 N. S. Lewis;C. A. Barnes;M. J. Heben;A. Kumer;S. R. Lunt;G. E. McManis;G. M.Miskelly;R. M. Penner;M. J. Sailor
  13. Mod. Phys. Lett. B. v.3 no.10 K. H. Johson;D. P. Clougherty
  14. Mod. Phys. Lett. B v.3 no.10 C. W, Chu;Y. Y. Xue;R. L. Meng;P. H. Hor;Z. J. Huang;L. Gao
  15. Phys. Rev. C. Nucl. Phys v.40 no.4 J. C. Horowitz
  16. J. Electroanal. Chem. Interfacial Electrochem. v.266 no.2 G. Kreysa;G. Marx;W. Plieth
  17. Mod. Phys. Lett. B v.3 no.8 W. Schommers;C. Politis
  18. Rev. Roum. Phys. v.34 no.2 M. Apostol;I. A. Dorobantu
  19. Phys. Rev. B v.40 no.5 A. Burrows
  20. Phys. Rev. Lett. v.63 no.1 Z. Sun;D. Tomanek
  21. New Phys(Kor. Phys. Soc.) v.29 no.2 D. P. Min
  22. Phys, Rev. B v.40 no.8 X. W. Wang;S. G. Louie;M. L. Cohen
  23. Phys. Rev. B v.40 no.3 O. B. Christensen;P. D. Ditlevsen;K. W. Jacobson;P. Stoltze;O. H. Nielsem;J. K. Norskov
  24. J. Phys. Chem. v.93 L. L. Lohr
  25. Phys. Rev. B v.43 no.6 D. Tomanek;Z. Sun;S. G. Louie
  26. Platinum Met. Rev. v.26 F. A. Lewis
  27. Hydrogen in Metals v.2 E. Wicke;H. Broodowsky;G. Alefeld(ed.);J. Volkl(ed.)
  28. The Palladium Hydrogen System F. A. Lewis
  29. Philos. Trans. R. Soc. London v.156 T. Graham
  30. Z. Phys. Chem. v.174A A. Sievert;G. Zapf
  31. Z. Phys. Chem. v.38B A. Sievert;W. Danz
  32. Z. Phys. Chem. v.44 H. Brodowsky;E. Poeschel
  33. Z. Phys. Chem. (Wiesbaden) v.116 G. Sicking
  34. Z. Phys. Chem. (Munich) v.143 T. B. Flanagan;T. Kuji
  35. Z. Phys. Chem. (Munich) v.145 no.1 R. Fromageau;A. Magnouche
  36. Z. Phys. Chem. (Munich) v.158 no.2 Y. Sakamoto;Y. Tanaka;K. Baba;T. B. Flanagan
  37. J. Am. Chem. Soc. v.61 L. J. Gillispie;W. R. Downs
  38. J. Phys. Chem. v.79 no.1 J. B. Condon
  39. J. Phys. Chem. v.80 no.4 G. L. Powell
  40. J. Phys. Chem. v.83 no.5 G. L. Powell
  41. J. Chem. Phys. v.46 no.4 Y. Ebisuzaki;W. J. Kass;M. O'Keeffe
  42. J. Chem. Phys. v.63 no.2 S. A. Steward
  43. J. Chem. Phys. v.64 G. Boureau;O. J. Kleppa;P. Dantzer
  44. J. Chem. Phys. v.65 G. Boureau;O. J. Kleppa
  45. Ber. Bunsenges. Phys. Chem. v.68 E. Wicke;G. Nernst
  46. Ber. Bunsenges. Phys. Chem. v.77 H. Frieske;E. Wicke
  47. J. Less-Common Met. v.70 no.2 W. R. Tyson
  48. J. Less-Common Met. v.88 no.2 Y. Sakamoto;T. Ohishi;E. Kumashiro;K. Takao
  49. J. Less-Common Met. v.88 no.2 Y. Sakamoto;S. Hirata;H. Nishikawa
  50. J. Less-Common Met. v.101 H. Zuechner;H. G. Schoeneich
  51. J. Less-Common Met. v.103 no.1 D. A. Smith;I. P. Jones;I. R. Harris
  52. J. Less-Common Met. v.130 M. Doyle;R. C. J. Wileman;I. R. Harris
  53. J. Less-Common Met. v.130 R. Lasser;G. L. Powell
  54. Phys. Rev. B: Condens. Matter v.26 R. Lasser
  55. Phys. Rev. B: Condens. Matter v.28 no.2 R. Lasser;K. H. Klatt
  56. Phys. Rev. B: Condens. Matter v.29 no.8 R. Lasser
  57. Phys. Rev. B: Condens. Matter v.31 no.10 S. Mohlecke;C. F. Majkrzak;M. Strongin
  58. Phys. Rev. B: Condens. Matter v.34 no.2 R. Lasser;G. L. Powell
  59. Acta. Metall. v.30 no.6 R. Kirchheim
  60. Acta. Metall. v.35 no.12 R. Kirchheim;J. P. Hirth
  61. Scr. Metall. v.18 no.9 H. Takeshita;R. B. Mclellan
  62. Scr. Metall. v.22 no.4 A. Craft;R. Foley;B. Flanagan;K. Baba;Y. Niki;Y. Sakamoto
  63. J. Chem. Soc. Faraday Trans. v.169 D. Clewley;T. Curran;T. B. Flanagan;W. A. Oates
  64. Solid State Commun. v.31 no.11 T. B. Flanagan;J. D. Clewley
  65. Surf. Coat. Technol. v.28 no.3 R. V. Bucur;V. mecea
  66. J. Meter. Sci. v.22 no.9 R. V. Bucur
  67. Prg. Mater. Sci. v.32 no.4 R. Kirchheim
  68. J. Appl. Phys. v.63 no.9 S. M. Lee;J. Y. Lee
  69. Z. Phys. Chem. (Munich) v.159 no.1 Y. Sakamoto;K. Kajihara;Y. Fukusaki;T. B. Flanagan
  70. Z. Phys. Chem. (Munich) v.161 no.1 S. Ramaprabhu;R. Leiberich;A. Weiss
  71. Z. Phys. Chem. (Munich) v.163 no.1 M. L. Doyle;I. R. Harris
  72. Z. Phys. Chem. (Munich) v.163 no.3 G. L. Powell;W. E. Lever;R. Lasser
  73. Z. Phys. Chem. (Munich) v.164 no.1 R. C. J. Wileman;M. Doyle;I. R. Harris
  74. Z. Phys. Chem. (Munich) v.165 no.1 Y. Sakamoto;K. Kajihara;E. One;K. Baba;T. B. Flanagan
  75. Scr. Metall. v.23 no.1 R. V. Bucur
  76. Fusion Technol. v.14 no.2 R. Lasser;G. L. Powell
  77. Ber. Bunsen-Ges. Phys. Chem. v.93 no.6 S. Ramaprabhu;N. Rajalakshmi;A. Weiss
  78. Scand. J. Metall. v.18 no.4 H. Shahani;L. Wictorin
  79. Phys. Rev. Letters v.49 G. Binnig;H. Roher;Ch. Gerber;E. Weibel
  80. Surf. Sci. v.126 G. Binnig;H. Roher
  81. Surf. Sci. v.152;153 G. Binnig;H. Roher
  82. Surf. Sci. v.181 A. J. Brunner;A. Stemmer;L. Rosenthaler;R. Wiesendanger;M. Ringger;P. Oelhafer;H. Rudin;H. J. Guntherodt
  83. J. Electrochem. Soc. v.136 no.12 J. O. Besenhard;U. Krebber;J. K. H. Horber;N. Kanani;H. Meyer
  84. IBM J. Res. Develop. v.30 no.4 J. E. Demuth;R. J. Hamers;R. M. Tromp;M. E. Welland
  85. IBM J. Res. Develop. v.30 no.4 W. Hosler;R. J. Behm;E. Ritter
  86. IBM J. Res. Develop. v.30 no.5 M. Ringger;B. W. Corb;H. R. Hidber;R. Schlogl;R. Wiesendanger;A. Stemmer;L. Rosenthaler;A. J. Brunner;P. C. Oelhafen;H. J. Guntherodt
  87. IBM J. Res. Develop. v.30 no.5 H. van Kempen;G. F. A. van de Walle
  88. IBM J. Res. Develop. v.30 no.5 Th. Berghaus;H. Neddermeyer;St. Tosch
  89. The Nature of the Surface Chemical Bond T. N. Rhodin;G. Ertl
  90. Some Aspects of Crystal Field Theory T. M. Dunn;D. S. McClure;R. G. Pearson
  91. Introduction to Ligand Field Theory C. J. Ballhausen
  92. J. Chem. Phys. v.39 R. Hoffman
  93. J. Am. Chem. Soc. v.100 J. H. Ammeter;H. B. Burgi;J. C. Thibeault;R. Hoffman
  94. J. Chem. Phys. v.68 M. H. Whangbo;R. Hoffman
  95. Methods of Theoritical Physics P. M. Morse;H. Feshbach
  96. Theor. Chim. Acta v.4 H. Basch;H. B. Gray
  97. Bull. Jpn. Chem. Soc. v.54 K. Tasmi;R. Hoffmann;A. Yamamoto;J. K. Skill
  98. Introduction to Solid State Physics C. Kittel
  99. Molecular Orbital Theory C. J. Ballhausen;H. B. Gray
  100. Theor. Eksp. Khim. v.3 V. I. Baranovskii;A. B. Nikolskii
  101. Inorg. Chimica Acta v.5 D. A. Brown;A. Owens
  102. J. Chem. Phys. v.36 J. W. Richardson;W. C. Nieuwpoott;R. R. Powell;W. F. Edgell
  103. Chem Phys. Lett. v.137 no.3 G. Casalone;F. Merati;G. F. Tantardini
  104. Nature v.339 W.A. Fowler
  105. Nature v.339 J. C. Jackson
  106. Nature v.339 D. Lindley
  107. Nature v.339 R. D. Petasso;X. Chen;K. W. Wenzel;R. R. Parker;C. K. Li;C. Fiore
  108. Nature v.342 D. E. Williams;D. J. S. Findlay;D. H. Craston;M. R. Sene;M. Bailey;S. Croft;B. W. Hooton; C. P. Jones;A. R. J. Kucernak;J. A. Mason;R. I. Taylor
  109. Nature v.342 J. S. Cohen;J. D. Davies