Download The Molecule-Metal Interface by Norbert Koch, Nobuo Ueno, Andrew Thye Shen Wee PDF

By Norbert Koch, Nobuo Ueno, Andrew Thye Shen Wee

Reviewing fresh development within the basic realizing of the molecule-metal interface, this beneficial addition to the literature specializes in experimental stories and introduces the most recent analytical ideas as utilized to this interface.
the 1st half covers uncomplicated conception and preliminary precept experiences, whereas the second one half introduces readers to photoemission, STM, and synchrotron ideas to ascertain the atomic constitution of the interfaces. The 3rd half offers photoelectron spectroscopy, high-resolution UV photoelectron spectroscopy and electron spin resonance to review the digital constitution of the molecule-metal interface. within the last bankruptcy the editors talk about destiny perspectives.
Written as a senior graduate or senior undergraduate textbook for college kids in physics, chemistry, fabrics technological know-how or engineering, the book's interdisciplinary procedure makes it both suitable for researchers operating within the box of natural and molecular electronics.

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Metal surface) [4, 13]. At a molecule–metal interface, within the IDIS model, electron charge should flow between the two materials depending on the sign of (EFi CNL), EFi being the initial metal Fermi level (EFi D ΦM , ΦM is the metal work function), in such a way that a potential, V IDIS , will be induced between the two materials. t. the Fermi level of the metal in such a way that the initial misalignment between metal and molecular levels, (EFi CNL), is screened [4, 13] to (EF CNL) D S(EFi CNL), where S(0 < S < 1) is a screening parameter that depends on the interface properties (to be discussed below).

Flores, F. and Kahn, A. , 8, 241. 15 Vazquez, H. et al. (2007) J. Chem. , 126, 144703. 16 Vazquez, H. D. thesis, Universidad Autónoma de Madrid, Spain. 17 R. Duschek et al. (2000) Chem. Phys. , 318, 43. 18 Dori, N. et al. (2006) Phys. Rev. B : Condens. Matter Mater. , 73, 195208. G. et al. (2000) Chem. Phys. , 327, 181. 20 Schwieger, T. et al. (2002) Phys. Rev. B: Condens Matter Mater. , 66, 155207. 21 Kummel, S. and Kronik, L. (2008) Rev. Mod. , 80, 3. J. et al. (1994) Phys. Rev. B: Condens.

13) where we have introduced the charging energies, U0L and U0H , of the LUMO and HOMO levels. Thus, the appropriate transport energy gap for the molecule is given as the (underestimated) Kohn–Sham gap plus the self-interaction correction U0 D 1/2(U0L C U0H ). Although Eq. 3), its validity holds for a very general case as shown in [4, 25]. 4 Molecular energy levels for PTCDA using (a) a LDA-DFT approach and (b) after introducing the self-interaction correction as calculated with a Koopmans approximation (see text) [13, 16].

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