Publications of Vanessa Jane Bukas

Diesen, E.; Coskun, M. U.; Díaz-Coello, S.; Bukas, V. J.; Kunze-Liebhäuser, J.; Reuter, K.: Rationalizing the “anomalous” electrochemical Stark shift of CO at Pt(111) through vibrational spectroscopy and density-functional theory calculations. Surface Science 754, 122694 (2025)

Pillai, H. S.; Heenen, H.; Reuter, K.; Bukas, V. J.: Bridging the scales within transport-coupled kinetic models for heterogeneous electrocatalysis. Current Opinion in Electrochemistry 49, 101631 (2025)

Dudzinski, A.; Diesen, E.; Reuter, K.; Bukas, V. J.: Oxygen Adsorption at the Electrochemical Metal/Water Interface: Au(111) vs Pt(111). The Journal of Physical Chemistry C 128 (49), pp. 20886 - 20894 (2024)

Li, Z.; Öztuna, E.; Skorupska, K.; Vinogradova, O.; Jamshaid, A.; Steigert, A.; Rohner, C.; Dimitrakopoulou, M.; Prieto, M.; Kunkel, C. et al.; Stredansky, M.; Kube, P.; Götte, M.; Dudzinski, A.; Girgsdies, F.; Wrabetz, S.; Frandsen, W.; Blume, R.; Zeller, P.; Muske, M.; Delgado Muñoz, D.; Jiang, S.; Schmidt, F.; Köchler, T.; Arztmann, M.; Efimenko, A.; Frisch, J.; Kokumai, T.; Garcia-Diez, R.; Bär, M.; Hammud, A.; Kröhnert, J.; Trunschke, A.; Scheurer, C.; Schmidt, T.; Lunkenbein, T.; Amkreutz, D.; Kuhlenbeck, H.; Bukas, V. J.; Knop-Gericke, A.; Schlatmann, R.; Reuter, K.; Roldan Cuenya, B.; Schlögl, R.: Rationally Designed Laterally-Condensed-Catalysts Deliver Robust Activity and Selectivity for Ethylene Production in Acetylene Hydrogenation. Nature Communications 15, 10660 (2024)

Heenen, H.; Pillai, H. S.; Reuter, K.; Bukas, V. J.: Exploring mesoscopic mass transport effects on electrocatalytic selectivity. Nature Catalysis (2024)

Vinogradova, O. V.; Reuter, K.; Bukas, V. J.: Trends of Pd₃Au(111) Alloy Surface Segregation in Oxygen, Carbon, and Nitrogen Environments. The Journal of Physical Chemistry C 127 (45), pp. 22060 - 22066 (2023)

Dudzinski, A. M.; Dudzinski, A.; Diesen, E.; Heenen, H.; Bukas, V. J.; Reuter, K.: First Step of the Oxygen Reduction Reaction on Au(111): A Computational Study of O₂ Adsorption at the Electrified Metal/Water Interface. ACS Catalysis 13 (18), pp. 12074 - 12081 (2023)

Shadravan, V.; Cao, A.; Bukas, V. J.; Grønborg, M. K.; Damsgaard, C. D.; Wang, Z.; Kibsgaard, J.; Nørskov, J. K.; Chorkendorff, I.: Enhanced promotion of Ru-based ammonia catalysts by in situ dosing of Cs. Energy & Environmental Science 15 (8), pp. 3310 - 3320 (2022)

Li, K.; Andersen, S. Z.; Staff, M. J.; Saccoccio, M.; Bukas, V. J.; Krempl, K.; Sazinas, R.; Pedersen, J. B.; Shadravan, V.; Zhou, Y. et al.; Chakraborty, D.; Kibsgaard, J.; Vesborg, P. C. K.; Nørskov, J. K.; Chorkendorff, I.: Enhancement of lithium-mediated ammonia synthesis by addition of oxygen. Science 374 (6575), pp. 1593 - 1597 (2021)

Bukas, V. J.: Questions of Selectivity in Electrocatalysis. International Workshop on Multiscale Computational Design for Heterogeneous Functional Materials 2024, Naples, Italy (2024)

Bukas, V. J.: Questions of Selectivity in Electrocatalysis. Seminar, Theoretical Chemistry (AG P. Saalfrank), University of Potsdam, Potsdam, Germany (2024)

Bukas, V. J.: Questions of Selectivity in Electrocatalysis. EIRES Energizing Day 2023, Eindhoven University of Technology, Eindhoven, The Netherlands (2023)

Bukas, V. J.: Exploring Transport Effects on Electrocatalytic Selectivity. US-Germany Workshop Series on Artificial Photosynthesis, 2nd Season, 3rd Workshop on Artificial Photosynthesis: Multiscale Modeling to Connect the Nanoscale to the Macroscale, Online Event (2023)

Bukas, V. J.: Diffusion-Controlled Selectivity in Li-Mediated N₂ Electroreduction. Catalysis and Modelling Symposium, Rungsted, Denmark (2022)

Bukas, V. J.: Charge Transfer Mechanisms & Selectivity in Heterogeneous Electrocatalysis. Seminar, Department of Chemistry, University of Warwick, Online Event (2021)

Bukas, V. J.: Charge Transfer Mechanisms & Selectivity in Heterogeneous Electrocatalysis. Lecture, Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Online Event (2020)