Katharina Doblhoff-Dier
Universitair docent
- Naam
- Dr. K. Doblhoff-Dier
- Telefoon
- +31 71 527 2366
- k.doblhoff-dier@lic.leidenuniv.nl
- ORCID iD
- 0000-0002-5981-9438
Universitair docent
- Wiskunde en Natuurwetenschappen
- Leiden Institute of Chemistry
- LIC/Energy & Sustainability
- LIC/ES/Catalysis and Surface Chemistry
- Sokolov M., Doblhoff-Dier K. & Exner K.S. (2024), Best practices of modeling complex materials in electrocatalysis, exemplified by oxygen evolution reaction on pentlandites, Physical Chemistry Chemical Physics 26(34): 22359-22370.
- Powell Andrew D. Gerrits Nick Tchakoua Theophile Somers Mark F. Busnengo Heriberto F. Meyer Jörg Kroes Geert-Jan Doblhoff-Dier Katharina (2024), Best-of-both-worlds predictive approach to dissociative chemisorption on metals, Journal of Physical Chemistry Letters 15(1): 307-315.
- Doblhoff-Dier K. & Koper M.T.M. (2023), Electric double layer of Pt(111): known unknowns and unknown knowns, Current Opinion in Electrochemistry 39: 101258.
- Doblhoff-Dier K. & Koper M.T.M. (2023), Electric double layer of Pt(111): known unknowns and unknown knowns, Current Opinion in Electrochemistry 39: 101258.
- Tchakoua T., Powell A.D., Gerrits N., Somers M.F., Doblhoff-Dier K., Busnengo H.F. & Kroes G.J. (2023), Simulating highly activated sticking of H2 on Al(110): quantum versus quasi-classical dynamics, The Journal of Physical Chemistry Part C 127(11): 5395-5407.
- Ojha K., Doblhoff-Dier K. & Koper M.T.M. (2022), Double-layer structure of the Pt(111)–aqueous electrolyte interface, Proceedings of the National Academy of Sciences 119(3): e2116016119.
- Doblhoff-Dier K. & Koper M.T.M. (2021), Modeling the Gouy-Chapman diffuse capacitance with attractive ion-surface interaction, The Journal of Physical Chemistry Part C 125(30): 16664-16673.
- Cecilio de Oliveira Monteiro M., Mirabal A., Jacobse L., Doblhoff-Dier K., Barton S.C. & Koper M.T.M. (2021), Time-resolved local pH measurements during CO2 reduction using scanning electrochemical microscopy: buffering and tip effects, JACS Au 1(11): 1915-1924.
- Zhu J.-X., Le J.-B., Koper M.T.M., Doblhoff-Dier K. & Cheng J. (2021), Effects of adsorbed OH on Pt(100)/water interfacial structures and potential, The Journal of Physical Chemistry Part C 125(39): 21571-21579.
- Powell A.D., Kroes G.J. & Doblhoff-Dier K. (2020), Quantum Monte Carlo calculations on dissociative chemisorption of H-2 + Al(110): minimum barrier heights and their comparison to DFT values, The Journal of Chemical Physics 153(22): 224701.
- Gerrits N., Smeets E.W.F., Vuckovic S., Powell A.D., Doblhoff-Dier K. & Kroes G.J. (2020), Density functional theory for molecule–metal surface reactions: when does the generalized gradient approximation get it right, and what to do if it does not, Journal of Physical Chemistry Letters 11(24): 10552–10560.
- Seal S., Doblhoff-Dier K. & Meyer J. (2019), Dielectric Decrement for Aqueous NaCl Solutions: Effect of Ionic Charge Scaling in Nonpolarizable Water Force Fields, Journal of Physical Chemistry B 123(46): 9912-9921.
- Doblhoff-Dier K., Kroes G.J. & Libisch F. (2018), Density functional embedding for periodic and non-periodic diffusion Monte Carlo calculations, Physical Review B 98(8): 085138.
- Doblhoff-Dier K., Meyer J., Hoggan P.E. & Kroes G.J. (2017), Quantum Monte Carlo Calculations on a Benchmark Molecule - Metal Surface Reaction: H2 + Cu(111), Journal of Chemical Theory and Computation 13(7): 3208-3219.
- Doblhoff-Dier K., Meyer J., Hoggan P.E., Kroes G.J. & Wagner L.K. (2016), Diffusion Monte Carlo for accurate dissociation energies of 3d transition metal containing molecules, Journal of Chemical Theory and Computation 12(6): 2583-2597.
- Wolter B., Pullen M.G., Le A.-T., Baudisch M., Doblhoff-Dier K., Senftleben A., Hemmer M., Schroeter C.D., Ullrich J., Pfeifer T., Moshammer R., Graefe S., Vendrell O., Lin C.D. & Biegert J. (2016), Ultrafast electron diffraction imaging of bond breaking in di-ionized acetylene, Science 354(6310): 308-312.
- Doblhoff-Dier K., Kitzler M. & Graefe S. (2016), Theoretical investigation of alignment-dependent intense-field fragmentation of acetylene, Physical Review A 94(1): .
- Xie X., Doblhoff-Dier K., Xu H., Roither S., Schöffler M.S., Kartashov D., Erattupuzha S., Rathje T., Paulus G.G., Yamanouchi K., Baltuška A., Gräfe S. & Kitzler M. (2014), Selective control over fragmentation reactions in polyatomic molecules using impulsive laser alignment, Physical Review Letters 112(16): 163003.
- Doblhoff-Dier K., Dimitriou K.I., Staudte A. & Graefe S. (2013), Classical analysis of Coulomb effects in strong-field ionization of H-2(+) by intense circularly polarized laser fields, Physical Review A 88(3): .
- Xie X., Doblhoff-Dier K., Roither S., Schoeffler M.S., Kartashov D., Xu H., Rathje T., Paulus G.G., Baltuska A., Graefe S. & Kitzler M. (2012), Attosecond-Recollision-Controlled Selective Fragmentation of Polyatomic Molecules, Physical Review Letters 109(24): 243001.
- Doblhoff-Dier K., Kudlaty K., Wiesinger M. & Groeschl M. (2011), Time resolved measurement of pulsating flow using orifices, Flow Measurement and Instrumentation 22(2): 97-103.
- Nagele S., Pazourek R., Feist J., Doblhoff-Dier K., Lemell C., Tokesi K. & Burgdoerfer J. (2011), Time-resolved photoemission by attosecond streaking: extraction of time information, Journal of Physics B: Atomic, Molecular and Optical Physics 44(8): .
- Peixoto T.P., Doblhoff-Dier K. & Davidsen J. (2010), Spatiotemporal correlations of aftershock sequences, Journal of Geophysical Research: Solid Earth 115: .