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A periodic DFT approach was used to study the energetic, electronic and structural changes produced by the V, Fe and Ni sub layer doped of the MgO (100) and BaO (100) surfaces and the effect of these changes over the adsorption of NO and NO2. Results indicate that the higher capacity of donating charge of the transition metal atoms improves the ability of the surfaces to transfer charge to the molecules...
GaSb-based semiconductors are being developed because of the possibility to grow materials with band-gap energies covering a substantial range of the medium infrared spectrum. In particular, GaInAsSb alloys can be grown epitaxially on GaSb and InAs substrates, resulting in semiconductor layers with band-gap energies in the range 0.8–4.3μm. In this work we present results on the study of the influence...
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