Theoretical investigation of contact effects in conductance of single organic molecule

Thin Solid Films

Volumn 438-439, Issue , 2003, Pages 221-224

  Nara, Jun ^a   Kino, Hiori ^a   Kobayashi, Nobuhiko ^b   Tsukada, Masaru ^c   Ohno, Takahisa ^a  

^a NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^c UNIVERSITY OF TOKYO   (Japan)

Author keywords

Au(1 1 1) surface; Benzenethiol; Conductance; Density functional theory

Indexed keywords

CHEMICAL BONDS; ELECTRIC CONDUCTANCE; ELECTRODES; GOLD; PROBABILITY DENSITY FUNCTION;

ORGANIC MOLECULES;

HYDROCARBONS;

EID: 17344380421     PISSN: 00406090     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-6090(03)00774-0     Document Type: Conference Paper

References (15)

1. Reed M.A., Zhou C., Muller C.J., Burgin T.P., Tour J.M. Science. 278:1997;252.
2. Bumm L.A., Arnold J.J., Cygan M.T., Dunbar T.D., Burgin T.P., Jones L. II, Allara D.L., Tour J.M., Weiss P.S. Science. 271:1996;1705.
3. Derosa P.A., Seminario J.M. J. Phys. Chem. 105:2001;471.
4. Emberly E.G., Kirczenow G. Phys. Rev. B. 64:2001;235412.
5. Yaliraki S.N., Roitberg A.E., Gonzalez C., Mujica V., Ratner M.A. J. Chem. Phys. 111:1999;6997.
6. Di Ventra M., Pantelides S.T., Lang N.D. Phys. Rev. Lett. 84:2000;979.
7. Ulman A. Chem. Rev. 96:1996;1533.
8. Poirier G.E. Chem. Rev. 97:1997;1117.
9. Hayashi T., Morikawa Y., Nozoye H. J. Chem. Phys. 114:2001;7615.
10. Groenbeck H., Curioni A., Andreoni W. J. Am. Chem. Soc. 122:2000;3839.
11. Gottschalck J., Hammer B.J. J. Chem. Phys. 116:2002;784.
12. Yourdshahyan Y., Rappe A.J. J. Chem. Phys. 117:2002;825.
13. Perdew J.P., Burke K., Ernzerhof M. Phys. Rev. Lett. 77:1996;3865.
14. J. Nara et al., in preparation.
15. Kobayashi N., Aono M., Tsukada M. Phys. Rev. B. 64:2001;121402.