First-principles study of benzene on noble metal surfaces: Adsorption states and vacuum level shifts

作者: Kenji Toyoda , Yosuke Nakano , Ikutaro Hamada , Kyuho Lee , Susumu Yanagisawa

DOI: 10.1016/J.SUSC.2009.07.039

关键词:

摘要: … metal surfaces. Although the model is quite simple, they concluded that it provides a predictive description of the energy level at various organic/metal … properties and vacuum level shifts …

参考文章(53)
Roald Hoffmann, A Chemical and Theoretical Way to Look at Bonding on Surfaces. Reviews of Modern Physics. ,vol. 60, pp. 601- 628 ,(1988) , 10.1103/REVMODPHYS.60.601
M. G. Betti, A. Kanjilal, C. Mariani, H. Vázquez, Y. J. Dappe, J. Ortega, F. Flores, Barrier formation at organic interfaces in a Cu(100)-benzenethiolate-pentacene heterostructure. Physical Review Letters. ,vol. 100, pp. 027601- ,(2008) , 10.1103/PHYSREVLETT.100.027601
Yosuke Nakano, Susumu Yanagisawa, Ikutaro Hamada, Yoshitada Morikawa, Theoretical study of vacuum level shift at the C6H6/Al(111) interface Surface and Interface Analysis. ,vol. 40, pp. 1059- 1062 ,(2008) , 10.1002/SIA.2813
Susumu Yanagisawa, Yoshitada Morikawa, Important role of molecular permanent dipoles of the Alq3/Al interface studied from first-principles Chemical Physics Letters. ,vol. 420, pp. 523- 528 ,(2006) , 10.1016/J.CPLETT.2005.12.096
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
Paul S. Bagus, Klaus Hermann, Christof Wöll, The interaction of C6H6 and C6H12 with noble metal surfaces: Electronic level alignment and the origin of the interface dipole Journal of Chemical Physics. ,vol. 123, pp. 184109- 184109 ,(2005) , 10.1063/1.2107647
R. Dudde, K.-H. Frank, E.-E. Koch, The electronic structure of benzene adsorbed on Ag(111) studied by angle resolved photoemission Surface Science. ,vol. 225, pp. 267- 272 ,(1990) , 10.1016/0039-6028(90)90447-G
N. D. Lang, Interaction between Closed-Shell Systems and Metal Surfaces Physical Review Letters. ,vol. 46, pp. 842- 845 ,(1981) , 10.1103/PHYSREVLETT.46.842
Toshiaki Munakata, Takeshi Sakashita, Motowo Tsukakoshi, Junko Nakamura, FINE STRUCTURE OF THE TWO-PHOTON PHOTOEMISSION FROM BENZENE ADSORBED ON CU(111) Chemical Physics Letters. ,vol. 271, pp. 377- 380 ,(1997) , 10.1016/S0009-2614(97)00458-2