Spatially resolved electronic and vibronic properties of single diamondoid molecules

Nature Materials

Volumn 7, Issue 1, 2008, Pages 38-42

  Wang, Yayu ^a   Kioupakis, Emmanouil ^a   Lu, Xinghua ^a   Wegner, Daniel ^a   Yamachika, Ryan ^a   Dahl, Jeremy E ^b   Carlson, Robert M K ^b   Louie, Steven G ^a   Crommie, Michael F ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b MolecularDiamond Technologies Chevron Technology Ventures   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIAMONDS; ENERGY GAP; MOLECULAR ELECTRONICS; STRENGTH OF MATERIALS;

CARBON NANOSTRUCTURES; TETRAMANTANE DIAMONDOIDS; THERMAL TRANSPORT; TUNING ELECTRONIC BANDGAPS; VIBRONIC PROPERTIES;

NANOSTRUCTURES;

EID: 37649022837     PISSN: 14761122     EISSN: 14764660     Source Type: Journal    
DOI: 10.1038/nmat2066     Document Type: Article

References (29)

1. Marchand, A. P. Diamondoid hydrocarbons - delving into nature's bounty. Science 299, 52-53 (2003).
2. Raty, J. Y. & Galli, G. Ultradispersity of diamond at the nanoscale. Nature Mater. 2, 792-795 (2003).
3. Dahl, J. E., Liu, S. G. & Carlson, R. M. K. Isolation and structure of higher diamondoids, nanometer-sized diamond molecules. Science 299, 96-99 (2003).
4. 30). Angew. Chem. Int. Edn 42, 2040-2044 (2003).
5. Mcintosh, G. C., Yoon, M., Berber, S. & Tomanek, D. Diamond fragments as building blocks of functional nanostructures. Phys. Rev. B 70, 045401 (2004).
6. Drummond, N. D., Williamson, A. J., Needs, R. J. & Galli, G. Electron emission from diamondoids: A diffusion quantum Monte Carlo study. Phys. Rev. Lett. 95, 096801 (2005).
7. Lu, A. J., Pan, B. C. & Han, J. G. Electronic and vibrational properties of diamondlike hydrocarbons. Phys. Rev. B 72, 035447 (2005).
8. 30). Chem. Phys. Lett. 403, 83-88 (2005).
9. Willey, T. M. et al. Molecular limits to the quantum confinement model in diamond clusters. Phys. Rev. Lett. 95, 113401 (2005).
10. Filik, J. et al. Raman spectroscopy of nanocrystalline diamond: An ab initio approach. Phys. Rev. B 74, 035423 (2006).
11. Fokin, A. A. et al. Reactivity of [1(2,3)4]pentamantane (T-d-pentamantane): A nanoscale model of diamond. J. Org. Chem. 71, 8532-8540 (2006).
12. Oomens, J. et al. Infrared spectroscopic investigation of higher diamondoids. J. Mol. Spectrosc. 238, 158-167 (2006).
13. Schrdner, P. R. et al. Functionalizednanodiamonds: Triamantane and [121]tetramantane. J. Org. Chem. 71, 6709-6720 (2006).
14. Willey, T. M. et al. Observation of quantum confinement in the occupied states of diamond clusters. Phys. Rev. B 74, 205432 (2006).
15. Yang, W. L. et al. Monochromatic electron photoemission from diamondoid monolayers. Science 316, 1460-1462 (2007).
16. Eigler, D. M. & Schweizer, E. K. Positioning single atoms with a scanning tunnelling microscope. Nature 344, 524-526 (1990).
17. Stipe, B. C., Rezad, M. A. & Ho, W. Single-molecule vibrational spectroscopy and microscopy. Science 280, 1732-1735 (1998).
18. Ho, W. Single-molecule chemistry. J. Chem. Phys. 117, 11033-11061 (2002).
19. Kirtley, J. R., Washburn, S. & Scalapino, D. J. Origin of the linear tunneling conductance background. Phys. Rev. B 46, 336-346 (1992).
20. Stipe, B. C., Rezaei, H. A. & Ho, W. Localization of inelastic tunneling and the determination of atomic-scale structure with chemical spedfidty. Phys. Rev. Lett. 82, 1724-1727 (1999).
21. Hahn, J. R., Lee, H.J. & Ho, W Electronic resonance and symmetry in single-molecule inelastic dectron tunneling. Phys. Rev. Lett. 85, 1914-1917 (2000).
22. Grobis, M. et al. Spatially dependent inelastic tunndingin a single metallofullerene. Phys. Rev. Lett. 94, 136802 (2005).
23. Lorente, N. & Persson, M. Theory of single molecule vibrational spectroscopy and microscopy. Phys. Rev. Lett. 85, 2997-3000 (2000).
24. Ihm, J., Zunger, A. & Cohen, M. L. Momentum-space formalism for the total energy of solids. J. Phys. C 12, 4409-4422 (1979).
25. Soler, J. M. et al. The SIESTA method for ab initio order-N materials simulation. J. Phys. Condens. Matter 14, 2745-2779 (2002).
26. Hybertsen, M. S. & Louie, S. G. Electron correlation in semiconductors and insulators: Band gaps and quasipartide energies. Phys. Rev. B 34, 5390-5413 (1986).
27. Jorgensen, W L. & Salem, L. The Organic Chemist's Book of Orbitals (Academic, New York, 1973).
28. Perdew, J. P. & Zunger, A Self-interaction correction to density-functional approximations for many-dectron systems. Phys. Rev. B 23, 5048-5079 (1981).
29. Troullier, N. & Martins, J. L. Effident pseudopotentials for plane-wave calculations. Phys. Rev. B 43, 1993-2006 (1991).