Publications
Citations per year
Publications
Citations
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Research Pre-Prints
2019
1. Universal Scaling Relations for the Rational Design of Molecular Water Oxidation Catalysts with Near-Zero Overpotential
Research Articles
2020
47. Experimental and Theoretical Investigations on the Ru/CeO2 Catalyzed CO2 Methanation Mechanism

46. Fundamental Insights and Rational Design of Low-Cost Polyoxometalates for the Oxygen Evolution Reaction

45. Faster Hydrogen Production in Alkaline Media

44. Synthetic Approaches to Metallo-Supramolecular Co(II) Polygons and Potential use for H2O Oxidation

43. Cobalt-Catalyzed Ammonia Borane Dehydrogenation: Mechanistic Insight and Isolation of a Cobalt Hydride-Amidoborane Complex

42. Discerning Activity and Inactivity in Earth-Abundant Molecular Oxygen Evolution Catalysts

41. Insights into the Oxygen Vacancy Filling Mechanism in CuO/CeO2 Catalysts: A Key Step Toward High Selectivity in Preferential CO Oxidation
2019

40. The Effect of Chiral Ligand Concentration and Binding Mode on Chiroptical Activity of CdSe/CdS Quantum Dots

39. Universal Scaling Relations for the Rational Design of Molecular Water Oxidation Catalysts with Near-Zero Overpotential

38. Selective High-Temperature CO2 Electrolysis Enabled by Oxidized Carbon Intermediates

37. Untangling Cooperative Effects of Pyridinic and Graphitic Nitrogen Sites at Metal-Free N-Doped Carbon Electrocatalysts for the Oxygen Reduction Reaction

36. Influence of Carbon Nanostructure and Oxygen Moieties on Dopamine Adsorption and Charge Transfer Kinetics at Glassy Carbon Surfaces

35. RhIAr/AuIAr’ Transmetalation, a Case of Group Exchange Pivoting on Formation of M-M’ Bonds via Oxidative Insertion
2018

34. Experimental and Computational Study of Dopamine as an Electrochemical Probe of the Surface Nanostructure of Graphitized N-Doped Carbon

33. Copper Silver Thin Films with Metastable Miscibility for Oxygen Reduction Electrocatalysis in Alkaline Electrolytes

32. Mimicking Class I b Mn2-Ribonucleotide Reductase: A MnII2 Complex and Its Reaction with Superoxide

31. Hidden Aryl-Exchange Processes in Stable 16e RhIII [RhCp*Ar2] Complexes, and their Unexpected Transmetalation Mechanism

30. Computational Modelling of Water Oxidation Catalysts
2017

29. Equilibrium Oxygen Redox Capacity of Ultrathin CeO2-δ Depends Non-Monotonically on Large Biaxial Strain

28. Edge Reactivity and Water-Assisted Dissociation on Cobalt Oxide Nanoislands

27. Rhodium Complexes Promoting C–O Bond Formation in Reactions with Oxygen: The Role of Superoxo Species

26. Mechanistic Insights into Heterogeneous Methane Activation
2016

25. Two-dimensional Materials as Catalysts for Energy Conversion

24. Gold-Supported Cerium-doped NiOx Catalysts for Water Oxidation

23. Homogeneously Dispersed Multimetal Oxygen-Evolving Catalysts

22. Computationally Probing the Performance of Hybrid, Heterogeneous and Homogeneous Ir-based Catalysts for Water Oxidation

21. Dramatic Mechanistic Switch in Sn/AuI Group Exchanges: Transmetalation vs. Oxidative Addition

20. Understanding and tuning the intrinsic hydrophobicity of rare-earth oxides: A DFT+U study
2015

19. Enhancing Catalytic CO Oxidation over Co3O4 Nanowires by Substituting Co2+ with Cu2+

18. When the Solvent Locks the Cage: Theoretical Insight into the Transmetalation of MOF-5 Lattices and its Kinetic Limitations

17. Unraveling the Structure Sensitivity in Methanol Conversion on CeO2: A DFT+U Study

16. Structure, Activity, and Deactivation Mechanisms in Double Metal Cyanide Catalysts in the Production of Polyols
2014

15. Unique Reaction Path in Heterogeneous Catalysis: The Concerted Semi-Hydrogenation of Propyne to Propene on CeO2

14. Homolytic Products from Heterolytic Paths in H2 Dissociation on Metal Oxides: The example of CeO2
2013

13. Promoted Ceria: A Structural, Catalytic, and Computational Study

12. How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles

11. Stille Coupling Involving Bulky Groups Feasible with Gold Cocatalyst

10. Computational perspective on Pd-catalyzed C–C cross-coupling reaction mechanisms

9. Book Chapter: C–C Bond Formation

8. Book: A Theoretical Study on Pd-catalyzed Cross-Coupling Reactions
2012

7. Coordination Chemistry of New Chiral P,N Ferrocenyl Ligands with Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes

6. Mechanistic Exploration of the Pd-Catalyzed Copper-Free Sonogashira Reaction
2011

5. Mechanistic Analysis of Iridium(III) Catalyzed Direct sp2 C-H Arylation: A DFT Study

4. Cationic Intermediates in the Pd-Catalyzed Negishi Coupling. Kinetic and DFT Study of Alternative Transmetalation Pathways in the Me-Me Coupling of ZnMe2 and trans-PdMeCl(PMePh2)2

3. Book Chapter: Theoretical Evaluation of Phosphine Effects in Cross-Coupling Reactions
2010

2. Palladium Roundtrip in the Negishi Coupling of trans-[PdMeCl(PMePh2)2] with ZnMeCl: Experimental and DFT Study of the Transmetalation Step
2009

1. The C-C Reductive Elimination in Palladium Complexes, and the Role of Coupling Additives. A DFT Study Supported by Experiment