Theoretical predictions of adsorption behavior of elements 112 and 114 and their homologs Hg and Pb

Journal of Chemical Physics

Volumn 131, Issue 8, 2009, Pages

  Pershina, V ^a   Anton, J ^b   Jacob, T ^b  

^a GSI HELMHOLTZZENTRUM FÜR SCHWERIONENFORSCHUNG GMBH   (Germany)

^b UNIVERSITY OF ULM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION BEHAVIOR; ADSORPTION ENTHALPIES; ATOMIC ORBITAL; AU(111) SURFACES; CHEMICAL BONDINGS; CLUSTER SIZES; DENSITY-FUNCTIONAL THEORY CALCULATIONS; ELEMENT 112; HOLLOW SITES; METAL CLUSTER; THEORETICAL PREDICTION; VAN DER WAALS;

ADSORPTION; ATOMS; BINDING ENERGY; CHEMICAL BONDS; CHEMICAL ELEMENTS; DENSITY FUNCTIONAL THEORY; LEAD ALLOYS; MERCURY (METAL); VAN DER WAALS FORCES; WAVE FUNCTIONS;

GOLD;

EID: 69549129209     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3212449     Document Type: Article

References (55)

1. Chemistry of Superheavy Elements, edited by, M. Schädel, (Kluwer, Dordrecht, 2003).
2. D. C. Hoffman, D. M. Lee, and V. Pershina, in The Chemistry of the Actinide and Transactinide Elements, edited by, L. R. Morss, N. M. Edelstein, and, J. Fuger, (Springer, Dordrecht, 2006), pp. 1652-1752.
3. K. S. Pitzer, J. Chem. Phys. 0021-9606 63, 1032 (1975);
4. K. S. Pitzer, Int. J. Quantum Chem. 0020-7608 25, 131 (1984). 10.1002/qua.560250113
5. B. Fricke and J. T. Waber, Actinides Rev. 0001-7353 1, 433 (1971);
6. B. Fricke, Struct. Bonding (Berlin) 0081-5993 21, 89 (1975). 10.1007/BFb0116498
7. P. Schwerdtfeger and M. Seth, in Encyclopedia on Calculational Chemistry (Wiley, New York, 1998), Vol. 4, pp. 2480-2499.
8. B. Eichler, Kernenergie 0023-0642 10, 307 (1976).
9. H. W. Gäggeler and A. Türler, Chemistry of Superheavy Elements, edited by, M. Schädel, (Kluwer, Dordrecht, 2003), p. 237;
10. A. Türler and K. E. Gregor, Chemistry of Superheavy Elements, edited by, M. Schädel, (Kluwer, Dordrecht, 2003), p. 117.
11. I. Zvara, Radiochim. Acta 0033-8230 38, 95 (1985);
12. B. Eichler and I. Zvara, Radiochim. Acta 0033-8230 30, 233 (1982).
13. R. Eichler, N. V. Aksenov, A. V. Belozerov, G. A. Bozhikov, V. I. Chepigin, S. N. Dmitriev, R. Dressler, H. W. Gäggeler, V. A. Gorshkov, F. Haenssler, M. G. Itkis, A. Laube, V. Ya. Lebedev, O. N. Malyshev, Yu. Ts. Oganessian, O. V. Petrushkin, D. Piguet, P. Rasmussen, S. V. Shishkin, S. V. Shutov, A. I. Svirikhin, E. E. Tereshatov, G. K. Vostokin, M. Wegrzecki, and A. V. Yeremin, Nature (London) 0028-0836 447, 72 (2007). 10.1038/nature05761 (Pubitemid 46685841)
14. R. Eichler, N. V. Aksenov, A. V. Belozerov, G. A. Bozhikov, V. I. Chepigin, S. N. Dmitriev, R. Dressler, H. W. Gäggeler, V. A. Gorshkov, F. Haenssler, M. G. Itkis, A. Laube, V. Ya. Lebedev, O. N. Malyshev, Yu. Ts. Oganessian, O. V. Petrushkin, D. Piguet, P. Rasmussen, S. V. Shishkin, S. V. Shutov, A. I. Svirikhin, E. E. Tereshatov, G. K. Vostokin, M. Wegrzecki, and A. V. Yeremin, Angew. Chem., Int. Ed. 1433-7851 47, 3262 (2008). 10.1002/anie.200705019
15. A. B. Yakushev, I. Zvara, Yu. Ts. Oganessian, A. V. Belozerov, S. N. Dmitriev, B. Eichler, S. Hübener, E. A. Sokol, A. Türler, A. V. Yeremin, G. V. Buklanov, M. L. Chelnokov, V. I. Chepigin, V. A. Gorshkov, A. V. Gulyaev, V. Ya. Lebedev, O. N. Malyshev, A. G. Popeko, S. Soverna, Z. Szeglowski, S. N. Timokhin, S. P. Tretyakova, V. M. Vasko, and M. G. Itkis, Radiochim. Acta 0033-8230 91, 433 (2003). 10.1524/ract.91.8.433.20010
16. S. Soverna, R. Dressler, Ch. E. Düllmann, B. Eichler, R. Eichler, H. W. Gäggeler, F. Haenssler, J. -P. Niklaus, D. Piguet, Z. Qin, A. Türler, and A. B. Yakushev, Radiochim. Acta 0033-8230 93, 1 (2005) 10.1524/ract.93.1.1.58298; (Pubitemid 40222937)
17. J. P. Niklaus, R. Eichler, S. Soverna, H. W. Gäggeler, and L. Tobler, PSI Annual Report, 2000.
18. R. Eichler and M. Schädel, J. Phys. Chem. B 1089-5647 106, 5413 (2002). 10.1021/jp015553q (Pubitemid 35281904)
19. R. Eichler, Abstracts of the NRC7 International Conference, Budapest, Hungary, 24-29 August 2008.
20. Yu. Ts. Oganessian, V. K. Utyonkov, Yu. V. Lobanov, F. Sh. Addulin, A. N. Polyakov, I. V. Shirokovsky, Yu. S. Tsyganov, G. G. Gulbekian, S. L. Bogomolov, B. N. Gikal, A. N. Mezentsev, S. Iliev, V. G. Subbotin, A. M. Sukhov, A. A. Voinov, G. V. Buklanov, K. Subotic, V. I. Zagrebaev, and M. G. Itkis, Phys. Rev. C 0556-2813 70, 064609 (2004). 10.1103/PhysRevC.70.064609 (Pubitemid 40262400)
21. V. Pershina, A. Borschewsky, E. Eliav, and U. Kaldor, J. Chem. Phys. 0021-9606 128, 024707 (2008). 10.1063/1.2814242
22. V. Pershina, T. Bastug, B. Fricke, T. Jacob, and S. Varga, Chem. Phys. Lett. 0009-2614 265, 176 (2002).
23. V. Pershina, T. Bastug, C. Sarpe-Tudoran, J. Anton, and B. Fricke, Nucl. Phys. A. 734, 200 (2004). 10.1016/j.nuclphysa.2004.01.034 0375-9474
24. V. Pershina, T. Bastug, J. Anton, and B. Fricke, Nucl. Phys. A. 787, 381c (2007). 10.1016/j.nuclphysa.2006.12.059 0375-9474
25. C. Sarpe-Tudoran, J. Anton, B. Fricke, and V. Pershina, J. Chem. Phys. 0021-9606 126, 174702 (2007). 10.1063/1.2727447 (Pubitemid 46717797)
26. V. Pershina and T. Bastug, Chem. Phys. 0301-0104 311, 139 (2005). 10.1016/j.chemphys.2004.09.030 (Pubitemid 40298940)
27. E. A. Rykova, A. Zeitsevski, N. S. Mosyagin, T. A. Isaev, and A. V. Titov, J. Chem. Phys. 0021-9606 125, 241102 (2006) 10.1063/1.2403850; A. Zaitsevskii, E. A. Rykova, N. S. Mosyagin, and A. V. Titov, Cent. Eur. J. Phys. 1644-3608 4, 448 (2006). 10.2478/s11534-006-0029-7
28. V. Pershina, in Relativistic Electronic Structure Theory, Part II, edited by, P. Schwerdtfeger, (Elsevier, New York, 2002), pp. 1-80.
29. V. Pershina, in Electronic Structure and Chemistry of the Heaviest Elements, Relativistic Methods for Chemists, edited by, M. Barysz, and, Y. Ishikawa, (Springer, London, in press).
30. J. Anton, B. Fricke, and P. Schwerdtfeger, Chem. Phys. 0301-0104 311, 97 (2005). 10.1016/j.chemphys.2004.10.012 (Pubitemid 40298936)
31. W. Liu, M. Dolg, and P. Schwerdtfeger (unpublished).
32. V. Pershina, J. Anton, and B. Fricke, J. Chem. Phys. 0021-9606 127, 134310 (2007). 10.1063/1.2770712 (Pubitemid 47531617)
33. W. Liu, C. van Wüllen, Y. K. Han, Y. J. Choi, and Y. S. Lee, Adv. Quantum Chem. 0065-3276 39, 325 (2001). 10.1016/S0065-3276(05)39019-8 (Pubitemid 33804526)
34. C. Nash, J. Phys. Chem. A 1089-5639 109, 3493 (2005). 10.1021/jp050736o
35. M. Seth, K. Faegri, and P. Schwerdtfeger, Angew. Chem. 0044-8249 110, 2669 (1998) 10.1002/(SICI)1521-3757(19980918)110:18<2669::AID-ANGE2669>3. 0.CO;2-2; P. Schwerdtfeger and M. Seth, J. Nucl. Radiochem. Sci. 1345-4749 3, 133 (2002).
36. K. Balasubramanian, J. Chem. Phys. 0021-9606 117, 7426 (2002). 10.1063/1.1508371 (Pubitemid 35358853)
37. J. Anton, B. Fricke, and E. Engel, Phys. Rev. A 1050-2947 69, 012505 (2004). 10.1103/PhysRevA.69.012505
38. S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 0008-4204 58, 1200 (1980).
39. E. Engel, S. Keller, and R. M. Dreizler, Phys. Rev. A 1050-2947 53, 1367 (1996). 10.1103/PhysRevA.53.1367
40. A. D. Becke, Phys. Rev. A 1050-2947 38, 3098 (1988). 10.1103/PhysRevA.38. 3098
41. J. P. Perdew, Phys. Rev. B 0163-1829 33, 1822 (1986); J. P. Perdew, Phys. Rev. B 0163-1829 34, 7406 (1986). 10.1103/PhysRevB.34.7406
42. R. S. Mulliken, J. Chem. Phys. 0021-9606 23, 1833 (1955). 10.1063/1.1740588
43. E. Eliav, U. Kaldor, and Y. Ishikawa, Phys. Rev. A 1050-2947 52, 2765 (1995). 10.1103/PhysRevA.52.2765
44. A. Landau, E. Eliav, Y. Ishikawa, and U. Kaldor, J. Chem. Phys. 0021-9606 114, 2977 (2001). 10.1063/1.1342763 (Pubitemid 32253413)
45. V. Pershina, T. Bastug, B. Fricke, and S. Varga, J. Chem. Phys. 0021-9606 115, 792 (2001). 10.1063/1.1379579
46. A. W. Adamson, Physical Chemistry of Surfaces (Wiley, New York, 1976).
47. E. Zaremba and W. Kohn, Phys. Rev. B 0163-1829 13, 2270 (1976). 10.1103/PhysRevB.13.2270
48. V. Pershina, A. Borschevsky, E. Eliav, and U. Kaldor, J. Chem. Phys. 0021-9606 129, 144106 (2008). 10.1063/1.2988318
49. N. Gaston, I. Opahle, H. W. Gäggeler, and P. Schwerdtfeger, Angew. Chem., Int. Ed. 1433-7851 46, 1663 (2007). 10.1002/anie.200604262 (Pubitemid 46981346)
50. F. Haenssler, R. Eichler, H. W. Gäggeler, S. Soverna, R. Dressler, D. Piguet, S. König, and Ch. Eyholzer, PSI Annual Report 2005, 2006; R. Eichler (private communication, 2008).
51. B. Eichler, S. Hübener, B. L. Zhuikov, H. Rossbach, Preprint No. JINR P12-81-717, 1981.
52. H. Roßbach and B. Eichler, Akademie der Wissenschaft der DDR Report No. ZfK-527, 1984.
53. G. Boisvert, L. J. Lewis, M. J. Puska, and R. M. Nieminen, Phys. Rev. B 0163-1829 52, 9078 (1995). 10.1103/PhysRevB.52.9078
54. J. Anton, T. Jacob, and V. Pershina, Phys. Rev. Lett. 0031-9007 (to be published).
55. CRC Handbook of Chemistry and Physics, 86th ed., edited by, D. R. Lide, (CRC, Boca Raton, 2005).