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DFT Simulation of XPS Reveals Cu/Epoxy Polymer Interfacial Bonding

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Figure 1. Dimer model. The color code is as follows: blue for nitrogen atoms, gray for carbon atoms, and red for oxygen atoms.
Figure 3. 500 × 500 nm 2 AFM image of the Cu thin film.
Figure 4. Representation of the optimized dimer con figurations with Cu in the vicinity of the O10 atom, with H (1) and without H (2a and 2b)
Figure 5. Simulated XPS spectra using the uGTS theory. Both correspond to an oxidative adsorption of the Cu atom on the polymer (case 2)
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