Area of research
Atomic and Molecular Physics, and Optics · Physical and Theoretical Chemistry
Research interest
Research interests include Chemistry, Electron transfer, Electrocatalyst, Proton-coupled electron transfer, Catalysis, and Electrochemistry.
Roadmap on methods and software for electronic structure based simulations in chemistry and materials
Concerted Proton-Coupled Electron Transfer to a Graphite Adsorbed Metalloporphyrin Occurs by Band to Bond Electron Redistribution
Electro-inductive Effect Dominates Vibrational Frequency Shifts of Conjugated Probes on Gold Electrodes
Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies
Inverse kinetic isotope effects in the oxygen reduction reaction at platinum single crystals
Integration of theory and experiment in the modelling of heterogeneous electrocatalysis
Unraveling Two Pathways for Electrochemical Alcohol and Aldehyde Oxidation on NiOOH
Bioinspiration in light harvesting and catalysis
Interfacial Field-Driven Proton-Coupled Electron Transfer at Graphite-Conjugated Organic Acids
Mirror-image antiparallel β-sheets organize water molecules into superstructures of opposite chirality
Conformational Motions and Water Networks at the α/β Interface in <i>E. coli</i> Ribonucleotide Reductase
Characterization of NiFe oxyhydroxide electrocatalysts by integrated electronic structure calculations and spectroelectrochemistry
Concerted One-Electron Two-Proton Transfer Processes in Models Inspired by the Tyr-His Couple of Photosystem II
Quantum Mechanical/Molecular Mechanical Free Energy Simulations of the Self-Cleavage Reaction in the Hepatitis Delta Virus Ribozyme