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
- Zhu J.X., Cheng J. & Doblhoff-Dier K. (2025), Dielectric profile at the Pt(111)/water interface, The Journal of Chemical Physics 162(2): 024702.
- Govindarajan N., Kastlunger G., Gauthier J.A., Cheng J., Filot I., Hagopian A.M.V., Hansen H.A., Huang J., Kowalski P.M., Liu J., Lombardi J.M., Maraschin M., Peterson A., Pillai H.S., Prats H., Price C.J., Roij R. van, Rossmeisl J., Seemakurthi R.R., Shin S.J., Smith A., Zhu J.X. & Doblhoff-Dier K. (2025), The intricacies of computational electrochemistry, ACS Energy Letters 10(9): 4277-4288.
- 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 A.D., Gerrits N., Tchakoua T., Somers M.F., Busnengo H.F., Meyer J., Kroes G.J. & Doblhoff-Dier K. (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. (2024), Correction to “Modeling the Gouy–Chapman Diffuse Capacitance with Attractive Ion–Surface Interaction”, ACS Catalysis 128(39): 16829-16829.
- Oudot B. & Doblhoff-Dier K. (2024), Reaction barriers at metal surfaces computed using the random phase approximation: can we beat DFT in the generalized gradient approximation?, The Journal of Chemical Physics 161(5): 054708.
- Liu J., Hagopian A., Mccrum I.T., Doblhoff-Dier K. & Koper M.T.M. (2024), Unraveling the origin of the repulsive interaction between hydrogen adsorbates on platinum single-crystal electrodes, The Journal of Physical Chemistry C 128(36): 15019-15028.
- Doblhoff-Dier K. & Koper M.T.M. (2024), Modeling the Gouy-Chapman diffuse capacitance with attractive ion-surface interaction: vol 125, pg 16664, 2021, Journal of Physical Chemistry C 128(39): 16829-16829.
- 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 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 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: .