22 results on '"Skorodumova, Natalia V."'
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2. Reactivity of Stone-Wales defect in graphene lattice – DFT study
3. First-principles analysis of aluminium interaction with nitrogen-doped graphene nanoribbons – from adatom bonding to various potential applications
4. Enhancement of hydrogen evolution reaction kinetics in alkaline media by fast galvanic displacement of nickel with rhodium – From smooth surfaces to electrodeposited nickel foams
5. Surface pourbaix plots of M@N4-graphene single-atom electrocatalysts from density functional theory thermodynamic modeling
6. Electrochemical reduction of thin graphene-oxide films in aqueous solutions – Restoration of conductivity
7. As a single atom Pd outperforms Pt as the most active co-catalyst for photocatalytic H2 evolution
8. A Pt/MnV2O6 nanocomposite for the borohydride oxidation reaction
9. Theoretical analysis of doped graphene as cathode catalyst in Li-O2 and Na-O2 batteries – the impact of the computational scheme
10. When supporting electrolyte matters – Tuning capacitive response of graphene oxide via electrochemical reduction in alkali and alkaline earth metal chlorides
11. Sodium storage via single epoxy group on graphene – The role of surface doping
12. Influence of composition and oxygen-vacancy ordering on lattice parameter and elastic moduli of Ce1-xGdxO2-x/2: A theoretical study
13. Tuning the electronic and chemisorption properties of hexagonal MgO nanotubes by doping – Theoretical study
14. A study of ordered mesoporous carbon doped with Co and Ni as a catalyst of oxygen reduction reaction in both alkaline and acidic media
15. Investigation of electrocatalytic activity on a N-doped reduced graphene oxide surface for the oxygen reduction reaction in an alkaline medium
16. Functionalized graphene for sodium battery applications: the DFT insights
17. Ionic conductivity in Sm-doped ceria from first-principles non-equilibrium molecular dynamics
18. KMCLib 1.1: Extended random number support and technical updates to the KMCLib general framework for kinetic Monte-Carlo simulations
19. Oxidized graphene as an electrode material for rechargeable metal-ion batteries – a DFT point of view
20. Mean square displacements with error estimates from non-equidistant time-step kinetic Monte Carlo simulations
21. Adsorption of nonmetallic elements on defect-free MgO(001) surface – DFT study
22. Electrochemical studies of the electron states of disordered electrochromic oxides
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