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By Norbert Koch, Nobuo Ueno, Andrew Thye Shen Wee
Reviewing contemporary growth within the primary figuring out of the molecule-metal interface, this helpful addition to the literature makes a speciality of experimental stories and introduces the newest analytical ideas as utilized to this interface.
the 1st half covers simple conception and preliminary precept experiences, whereas the second one half introduces readers to photoemission, STM, and synchrotron strategies to envision the atomic constitution of the interfaces. The 3rd half offers photoelectron spectroscopy, high-resolution UV photoelectron spectroscopy and electron spin resonance to check the digital constitution of the molecule-metal interface. within the remaining bankruptcy the editors speak about destiny perspectives.
Written as a senior graduate or senior undergraduate textbook for college students in physics, chemistry, fabrics technological know-how or engineering, the book's interdisciplinary method makes it both correct for researchers operating within the box of natural and molecular electronics.
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22). 12 A metal orbital (a) interacts with an organic orbital (b); Sab is the overlap between both orbitals. 12, where orbitals belonging in two atoms from a metal and an organic molecule, respectively, have an overlap S a b . Because of the Pauli exclusion principle, charges in both atoms, say in orbitals φ a (r) and φ b (r) having the same spin, are rearranged in a way similar to the case we have just discussed for two isolated atoms. This general case can be carefully analyzed assuming that the overlap S a b is small [15]; this argument leads to a result similar to the one given in Eq.
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13 An organic molecule with an intrinsic dipole in front of a metal, and its image charge. 4 DFT Calculations for a Single Molecule on a Surface model [15, 47] along the lines already discussed independently for each of these effects. Here we only write down the equations that embody both effects: 1. 28) 2. 29) 3. 3 to analyze the level alignment at those interfaces. 14 shows the C60 /Au(111) geometry as calculated in DFT by several authors [37, 48]. 4 Å from the first Au layer, with a hexagon practically parallel to the metal surface [48].