1,611 results on '"Pacchioni, Gianfranco"'
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2. Light-driven C–O coupling of carboxylic acids and alkyl halides over a Ni single-atom catalyst
3. CO2 electroreduction on single atom catalysts: Role of the local coordination
4. Water Splitting on a Pt1/C3N4 Single Atom Catalyst: A Modeling Approach
5. Prediction of 2D ferromagnetism and monovalent europium ions in the EuBr/graphene heterojunctions
6. New scaling relationships for the oxygen evolution reaction on single atom catalysts
7. Cluster Catalysis with Lattice Oxygen: Tracing Oxygen Transport from a Magnetite(001) Support onto Small Pt Clusters
8. 2D/2D Z-scheme-based α-Fe2O3 @NGr heterojunction implanted with Pt single-atoms for remarkable photocatalytic hydrogen evolution
9. Single-atom electrocatalysis from first principles: Current status and open challenges
10. Vibrational Properties of CO Adsorbed on Au Single Atom Catalysts on TiO2(101), ZrO2(101), CeO2(111), and LaFeO3(001) Surfaces: A DFT Study
11. CO2 electroreduction on single atom catalysts: Is water just a solvent?
12. Structural and electronic properties of V$_2$O$_5$ and MoO$_3$ bulk and ultrathin layers
13. Does the Oxygen Evolution Reaction follow the classical OH*, O*, OOH* path on single atom catalysts?
14. N‐Heterocyclic Olefins on a Metallic Surface – Adsorption, Orientation, and Electronic Influence
15. Key Ingredients for the Screening of Single Atom Catalysts for the Hydrogen Evolution Reaction: The Case of Titanium Nitride
16. Probing the Surface of Oxide Nanoparticles Using DNP-Enhanced High-Resolution NMR of Quadrupolar Nuclei
17. First principles approach to solar energy conversion efficiency of semiconductor heterojunctions
18. From Li clusters to nanocatalysis: A brief tour of 40 years of cluster chemistry
19. Atomic structure of a metal-supported two-dimensional germania film
20. Structures and properties of Pd nanoparticles intercalated in layered TiO2: A computational study
21. Copper Single Atoms Chelated on Ligand‐Modified Carbon for Ullmann‐Type C−O Coupling
22. From CO2 to Methanol on Cu/ZnO/Al2O3 Industrial Catalyst. What Do We Know about the Active Phase and the Reaction Mechanism?
23. Pt Single Atoms Supported on Defect Ceria as an Active and Stable Dual-Site Catalyst for Alkaline Hydrogen Evolution
24. Co2 Electroreduction on Single Atom Catalysts: Role of the Local Coordination
25. CO2 electroreduction on single atom catalysts: the role of the DFT functional
26. Anisotropic Effects of Oxygen Vacancies on Electrochromic Properties and Conductivity of $\gamma$-Monoclinic WO$_3$
27. Layered oxides as cathode materials for beyond-Li batteries: A computational study of Ca and Al intercalation in bulk V2O5 and MoO3
28. Defect calculations in semiconductors through a dielectric-dependent hybrid DFT functional: the case of oxygen vacancies in metal oxides
29. Communication: Hole localization in Al-doped quartz SiO2 within ab initio hybrid-functional DFT
30. Electronic structure and phase stability of oxide semiconductors: Performance of dielectric-dependent hybrid functional DFT, benchmarked against $GW$ band structure calculations and experiments
31. CO2 electroreduction on single atom catalysts: the role of the DFT functional.
32. Predicting the Stability of Single-Atom Catalysts in Electrochemical Reactions
33. Copper Single Atoms Chelated on Ligand‐Modified Carbon for Ullmann‐type C‐O Coupling
34. New Scaling Relationships for the Oxygen Evolution Reaction on Single Atom Catalysts
35. Characterization of Acid and Basic Sites on Zirconia Surfaces and Nanoparticles by Adsorbed Probe Molecules: A Theoretical Study
36. Structural and electronic properties of TiO2 from first principles calculations
37. List of contributors
38. Role of Metal/Oxide Interfaces in Enhancing the Local Oxide Reducibility
39. The epitaxial growth of ZnO films on Cu(111) surface: Thickness dependence
40. Structural and electronic properties of bulk and ultrathin layers of V2O5 and MoO3
41. Nature of stable single atom Pt catalysts dispersed on anatase TiO2
42. From CO2 to Methanol on Cu/ZnO/Al2O3 Industrial Catalyst. What Do We Know about the Active Phase and the Reaction Mechanism?
43. Predicting the Stability of Single-Atom Catalysts in Electrochemical Reactions.
44. Modeling Single‐Atom Catalysis
45. Ultra-High-Field 67Zn and 33S NMR Studies Coupled with DFT Calculations Reveal the Structure of ZnS Nanoplatelets Prepared by an Organometallic Approach
46. TiO₂ and ZrO₂ in biomass conversion: why catalyst reduction helps
47. CH3Br adsorption on MgO/Mo ultrathin films: A DFT study
48. Support effects and reaction mechanism of acetylene trimerization over silica-supported Cu4 clusters: A DFT study
49. Solar-driven chemistry: towards new catalytic solutions for a sustainable world
50. Structural evolution of atomically dispersed Pt catalysts dictates reactivity
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