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16 results on '"Selloni, Annabella"'

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1. Electrical double layer and capacitance of TiO2 electrolyte interfaces from first principles simulations

2. A first-principles machine-learning force field for heterogeneous ice nucleation on microcline feldspar

3. Selective control of localised vs. delocalised carriers in anatase TiO2 through reaction with O2

4. Electronic and optical properties of doped TiO2 by many-body perturbation theory

5. Reaction of O2 with Subsurface Oxygen Vacancies on TiO2 Anatase (101)

6. (Sub)surface mobility of oxygen vacancies at the TiO$_2$ anatase (101) surface

7. Formation and stability of reduced TiO_x layers on anatase TiO_2(101): identification of a novel Ti_2O_3 phase

8. Ab initio theory and modeling of water

9. Incorporation of Non-metal Impurities at the Anatase TiO$_2$(001)-(1$\times$4) Surface

10. Electronic states and magnetic structure at the Co3O4 (110) surface: a first principles study

11. Electronic structure and bonding properties of cobalt oxide in the spinel structure

12. Hybrid density functional calculations of the band gap of Ga$_x$In$_{1-x}$N

13. Order-N implementation of exact exchange in extended systems

14. Band Alignment in Molecular Devices: Influence of Anchoring Group and Metal Work Function

15. Basic Energy Sciences Exascale Requirements Review. An Office of Science review sponsored jointly by Advanced Scientific Computing Research and Basic Energy Sciences, November 3-5, 2015, Rockville, Maryland

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