By Raphael Schlesinger
This paintings investigates the energy-level alignment of hybrid inorganic/organic structures (HIOS) comprising ZnO because the significant inorganic semiconductor. as well as providing crucial insights, the thesis demonstrates HIOS energy-level alignment tuning inside an extraordinary power variety. (Sub)monolayers of natural molecular donors and acceptors are brought as an interlayer to change HIOS interface-energy degrees. by way of learning a number of HIOS with various homes, the writer derives more often than not legitimate systematic insights into the elemental approaches at paintings. as well as molecular pinning degrees, he identifies adsorption-induced band bending and gap-state density of states as enjoying a vital function within the interlayer-modified energy-level alignment, therefore laying the basis for rationally controlling HIOS interface digital homes. The thesis additionally provides quantitative descriptions of many facets of the methods, establishing the door for cutting edge HIOS interfaces and for destiny purposes of ZnO in digital units.
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Extra info for Energy-Level Control at Hybrid Inorganic/Organic Semiconductor Interfaces
Zn I –N O ) act as shallow donors [42, 53, 55]. To p–type dope ZnO has proven difficult [58–60]. In fact efforts so far have failed or only accomplished some compensation of the n dopants [61–65]. To this thesis however this adds some degree of reproducibility, since native doping with a density of 1017 cm−3 to 1018 cm−3 by shallow donors of 30 meV to 60 meV binding energy will always render the Fermi level and conduction band to be spaced about 100 meV. 2 Band Bending Band bending arises from differences in charge concentrations.
Upon moving closer into intimate contact (but still considering the systems apart) push back may occur. Alignment at the interface then occurs not at the vacuum levels before contact, but at the current surface potentials. At that stage it can accur that occupied states of one side of the interface come to lye above E F or, vice versa, the unoccupied states of one constituent to be below E F . Then, however, the formerly occupied (unoccupied) states would be emptied (filled). This process is governed by Fermi–Dirac statistics and the relative position of the energy levels to the Fermi level.
20) Here, Sij are the overlap integrals. The diagonal matrixelements Hii are called coulomb integrals and the off diagonal ones (Hij ) resonance integrals. 21)) now consists of three assumptions on these integrals: First, it assumes that any overlap between neighboring atoms vanishes. Second, one assumes all coulomb integrals to be equal. 22) is now much simpler. Finding the energy eigenvalues is now a FindRoot problem of the same polynomial order as there are carbon/constituent atoms in the π —system.