31 results on '"Da Silva, Juarez L.F."'
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2. Ab initio investigation of the adsorption properties of molecules on MoS2 pristine and with sulfur vacancy
3. On the Na+ transport and electrochemical stability window in NaTFSI:NMA deep eutectic solvent
4. Sodium-ion electrolytes based on poly-ethylene oxide oligomers in dual-carbon cells: Anion size drives the charging behavior
5. Identification of sodiation mechanisms in graphite-based negative electrodes by molecular dynamics simulations combined with potential of mean force
6. Mechanism of amoxicillin adsorption by ferrihydrites: Experimental and computational approaches
7. Enhancing topological Weyl Semimetals by Janus transition-metal dichalcogenides structures
8. Facile synthesis of Ru nanoclusters embedded in carbonaceous shells for hydrogen evolution reaction in alkaline and acidic media
9. Fluoroalkoxyaluminate-based ionic liquids as electrolytes for sodium-ion batteries
10. Theoretical investigation of the stability of A55-nBn nanoalloys (A, B = Al, Cu, Zn, Ag)
11. Ab initio investigation of the interface between [formula omitted] nanoflakes and the [formula omitted] surface: Interplay between interaction energy and morphology
12. Adsorption of ionic liquids forming species on Ti3C2Tx MXenes surfaces by first-principle calculations
13. Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards methanol on oxide-supported Ni5Ga3 catalysts: An experimental and DFT study
14. Development of coarse-grained force field to investigate sodium-ion transport mechanisms in cyanoborate-based ionic liquid
15. Ab initio investigation of the adsorption properties of molecules on MoS2 pristine and with sulfur vacancy
16. First-principles insights into the role of edges in the binding mechanisms of Au4 clusters on MoSe2 nanoflakes
17. Insights into the nature of optically active defects of ZnO
18. Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment
19. The role of the anionic and cationic pt sites in the adsorption site preference of water and ethanol on defected Pt4/Pt(111) substrates: A density functional theory investigation within the D3 van der waals corrections
20. Unveiling the mutual ion-storage mechanism of dual-carbon NaTFSI-WiSE Cells: A molecular dynamics study
21. Theoretical investigation of the stability of A55-B nanoalloys (A, B = Al, Cu, Zn, Ag)
22. Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au(111) surface: Interplay between interaction energy and morphology
23. Synthesis modification of hydroxyapatite surface for ethanol conversion: The role of the acidic/basic sites ratio
24. Structural and electronic properties of TM23 - pAgp (TM = Ni, Pd, and Pt) clusters in the dilute limit (p = 0–4): A density functional theory investigation
25. Linear scaling of the interlayer relaxations of the vicinal Cu( p, p, p − 2) surfaces with the number of atom-rows in the terraces
26. Converged properties of clean metal surfaces by all-electron first-principles calculations
27. Atomistic origins of the phase transition mechanism in [Ge.sub.2][Sb.sub.2][Te.sub.5]
28. Structural formation of binary PtCu clusters: A density functional theory investigation
29. Structural, electronic, and optical properties of the In2O3(ZnO)n system
30. Linear scaling of the interlayer relaxations of the vicinal Cu(p,p,p−2) surfaces with the number of atom-rows in the terraces
31. Adsorption of ionic liquids forming species on Ti3C2TxMXenes surfaces by first-principle calculations
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