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• Selective Acrolein Hydrogenation over Ligand-Protected Gold Clusters : A Venus Flytrap Mechanism 

  Mammen, Nisha; Malola, Sami; Honkala, Karoliina; Häkkinen, Hannu (American Chemical Society (ACS), 2022)

  The catalytic partial hydrogenation of α,β-unsaturated aldehydes is an ideal reaction to understand the selectivity between two different functional groups Here the two functional groups are C═C and C═O, and the hydrogenation ...

• Understanding selective hydrogenation of phenylacetylene on PdAg single atom alloy : DFT insights on molecule size and surface ensemble effects 

  Ibrahim, Hanan H.; Weckman, Timo; Murzin, Dmitry Yu.; Honkala, Karoliina (Elsevier, 2024)

  Single atom alloys (SAAs) have proven to be effective catalysts, offering customizable properties for diverse chemical processes. Various metal combinations are used in SAAs and Pd dispersed materials are frequently employed ...

• Chemoselective heterogeneous iridium catalyzed hydrogenation of cinnamalaniline 

  Savela, Risto; Shcherban, Nataliya D.; Melander, Marko M.; Bezverkhyy, Igor; Simakova, Irina L.; Långvik, Otto; Kholkina, Ekaterina; Schindler, Tamara; Krauβ, Annabelle; Honkala, Karoliina; Murzin, Dmitry Yu.; Leino, Reko (Royal Society of Chemistry, 2021)

  Selective hydrogenation of unsaturated imines over heterogeneous catalysts is an ecologically feasible and effective way to produce commercially valuable saturated imines and unsaturated amines under mild conditions, ...

• Cations Determine the Mechanism and Selectivity of Alkaline Oxygen Reduction Reaction on Pt(111) 

  Kumeda, Tomoaki; Laverdure, Laura; Honkala, Karoliina; Melander, Marko M.; Sakaushi, Ken (Wiley-VCH Verlag, 2023)

  The proton-coupled electron transfer (PCET) mechanism of the oxygen reduction reaction (ORR) is a long-standing enigma in electrocatalysis. Despite decades of research, the factors determining the microscopic mechanism of ...

• Oxidative Dehydrogenation of Ethanol on Gold : Combination of Kinetic Experiments and Computation Approach to Unravel the Reaction Mechanism 

  Behravesh, Erfan; Melander, Marko M.; Wärnå, Johan; Salmi, Tapio; Honkala, Karoliina; Murzin, Dmitry Yu. (Elsevier, 2021)

  Selective alcohol dehydrogenation on heterogeneous catalysts is a key industrial reaction for production of aldehydes, ketones, and carboxylic compounds. Design of catalysts with improved activity and selectivity requires ...