New PDF release: Conjugated Polymer & Molecular Interfaces

By William R. Salaneck, et al.

ISBN-10: 0585407460

ISBN-13: 9780585407463

ISBN-10: 0824705882

ISBN-13: 9780824705886

Defines the state of the art in interface technological know-how for digital purposes of natural fabrics. Updates figuring out of the foundaiton of interfacial homes. Describes novel digital units produced from conjugated polymers and natural molecular solids.

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RESULTS AND DISCUSSION A. Thiols on Gold Geometry optimization of the free C6H5SH molecule results in an S-C dis˚ . 83 A ˚ . 39 A lecular geometry by replacing the hydrogen with a single gold atom. This ˚ . 84 A structure also remains unchanged with an aromatic structure in which the ˚ . 40 A very close to the value obtained for the 10-atom cluster (see below). Using this geometry we checked first the lateral position of the molecule on the gold surface. , Sellers et al. [17]. We have calculated the total energy of the complex for different position of the sulfur relative to the surface and observed a clear minimum for the experimentally predicted position.

L. Burns, A. B. Holmes. Nature 347:539, 1990. J. H. Scho¨n, Ch. Kloc, B. Batlogg. Nature 406:702, 2000. A. J. Stone, The Theory of Intermolecular Forces. Oxford: Clarendon Press, 1996. C. Joachim, J. K. Gimzewski. Chem Phys Lett 265:353, 1997. P. Herwig, C. W. Kayser, K. Mu¨llen, H. W. Spiess. Adv Mater 8:510, 1996. K. Mullen, J. P. Rabe. Ann NY Acad Sci 33:205, 1998. A. M. van de Craats, J. M. Warman, K. Mu¨llen, Y. Geerts, J. D. Band. Adv Mater 10:36, 1996. M. Kiel, P. Samorı´, D. A. dos Santos, T.

93 eV. 5, when going from pyrene to coronene, results in a near-doubling of the interaction energy. In other terms, by dividing the total interaction energy by the number of carbon atoms in the monomer the resulting interaction energies per carbon atom are 29 and 39 meV in the pyrene and coronene dimers, respectively. This nonlinear increase in the interaction energy with number of atoms in the system is a clear indication that the stacking becomes increasingly stable the larger the PAH molecule is.

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Conjugated Polymer & Molecular Interfaces by William R. Salaneck, et al.

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