Surface Chemistry
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Main content start
Results for: Surface Chemistry
- Schreck, Simon, Elias Diesen, Martina Dell’Angela, Chang Liu, Matthew Weston, Flavio Capotondi, Hirohito Ogasawara, Jerry LaRue, Roberto Costantini, Martin Beye, Pieter Miedema, Joakim Stenlid, Jörgen Gladh, Boyang Liu, Hsin-Yi Wang, Fivos Perakis, Filippo Cavalca, Sergey Koroidov, Peter Amann, Emanuele Pedersoli, Denys Naumenko, Ivaylo Nikolov, Lorenzo Raimondi, Frank Abild-Pedersen, Tony Heinz, Johannes Voss, Alan Luntz, and Anders Nilsson. “Atom-Specific Probing of Electron Dynamics in an Atomic Adsorbate by Time-Resolved X-Ray Spectroscopy”, Phys. Rev. Lett., 129 (2022): 276001. https://doi.org/10.1103/PhysRevLett.129.276001.
- Trepte, Kai, and Johannes Voss. “Data-Driven and Constrained Optimization of Semi-Local Exchange and Nonlocal Correlation Functionals for Materials and Surface Chemistry”, J. Comput. Chem., 43 (2022): 1104. https://doi.org/10.1002/jcc.26872.
- Rodrigues, Gabriel, Elias Diesen, Johannes Voss, Patrick Norman, and Lars Pettersson. “Simulations of X-Ray Absorption Spectra for CO Desorbing from Ru(0001) With Transition-Potential and Time-Dependent Density Functional Theory Approaches”, Struct. Dyn., 9 (2022): 014101. https://doi.org/10.1063/4.0000135.
- Wei, Fenfei, Egidius Smeets, Johannes Voss, Geert-Jan Kroes, Sen Lin, and Hua Guo. “Assessing Density Functionals for Describing Methane Dissociative Chemisorption on Pt(110)-(2×1) Surface”, Chin. J. Chem. Phys., 34 (2021): 883. https://doi.org/10.1063/1674-0068/cjcp2110207.
- Brown, Kristopher, Yasheng Maimaiti, Kai Trepte, Thomas Bligaard, and Johannes Voss. “MCML: Combining Physical Constraints With Experimental Data for a Multi-Purpose Meta-Generalized Gradient Approximation”, J. Comput. Chem., 42 (2021): 2004. https://doi.org/10.1002/jcc.26732.
- Diesen, Elias, Hsin-Yi Wang, Simon Schreck, Matthew Weston, Hirohito Ogasawara, Jerry LaRue, Fivos Perakis, Martina Dell’Angela, Flavio Capotondi, Luca Giannessi, Emanuele Pedersoli, Denys Naumenko, Ivaylo Nikolov, Lorenzo Raimondi, Carlo Spezzani, Martin Beye, Filippo Cavalca, Boyang Liu, Jörgen Gladh, Sergey Koroidov, Pieter Miedema, Roberto Costantini, Tony Heinz, Frank Abild-Pedersen, Johannes Voss, Alan Luntz, and Anders Nilsson. “Ultrafast Adsorbate Excitation Probed With Subpicosecond-Resolution X-Ray Absorption Spectroscopy”, Phys. Rev. Lett., 127 (2021): 016802. https://doi.org/10.1103/PhysRevLett.127.016802.
- Diesen, Elias, Gabriel Rodrigues, Alan Luntz, Frank Abild-Pedersen, Lars Pettersson, and Johannes Voss. “Accuracy of XAS Theory for Unraveling Structural Changes of Adsorbates: CO on Ni(100)”, AIP Advances, 10 (2020): 115014. https://doi.org/10.1063/5.0028002.
- Gerrits, Nick, Jan Geweke, Egidius Smeets, Johannes Voss, Alec Wodtke, and Geert-Jan Kroes. “Closing the Gap Between Experiment and Theory: Reactive Scattering of HCl from Au(111)”, J. Phys. Chem. C, 124 (2020): 15944. https://doi.org/10.1021/acs.jpcc.0c03756.
- Mallikarjun Sharada, Shaama, Rasmus Karlsson, Yasheng Maimaiti, Johannes Voss, and Thomas Bligaard. “Adsorption on Transition Metal Surfaces: Transferability and Accuracy of DFT Using the ADS41 Dataset”, Phys. Rev. B, 100 (2019): 035439. https://doi.org/10.1103/PhysRevB.100.035439.
- Smeets, Egidius, Johannes Voss, and Geert-Jan Kroes. “Specific Reaction Parameter Density Functional Based on the Meta-Generalized Gradient Approximation: Application to H2 + Cu(111) and H2 + Ag(111)”, J. Phys. Chem. A, 123 (2019): 5395. https://doi.org/10.1021/acs.jpca.9b02914.
- Reinecke, Benjamin, Kendra Kuhl, Hirohito Ogasawara, Lin Li, Johannes Voss, Frank Abild-Pedersen, Anders Nilsson, and Thomas Jaramillo. “Elucidating the Electronic Structure of Supported Gold Nanoparticles and Its Relevance to Catalysis by Means of Hard X-Ray Photoelectron Spectroscopy”, Surf. Sci., 650 (2016): 24. https://doi.org/10.1016/j.susc.2015.12.025.
- Medford, Andrew, Aleksandra Vojvodic, Jens Hummelshøj, Johannes Voss, Frank Abild-Pedersen, Felix Studt, Thomas Bligaard, Anders Nilsson, and Jens Nørskov. “From the Sabatier Principle to a Predictive Theory of Transition-Metal Heterogeneous Catalysis”, J. Catal., 328 (2015): 36. https://doi.org/10.1016/j.jcat.2014.12.033.
- Chou, Sharon, Johannes Voss, Aleksandra Vojvodic, Roger Howe, and Frank Abild-Pedersen. “DFT Study of Atomically-Modified Alkali-Earth Metal Oxide Films on Tungsten”, J. Phys. Chem. C, 118 (2014): 11303. https://doi.org/10.1021/jp4120578.
- Voss, Johannes, Aleksandra Vojvodic, Sharon Chou, Roger Howe, and Frank Abild-Pedersen. “Inherent Enhancement of Electronic Emission from Hexaboride Heterostructure”, Phys. Rev. Applied, 2 (2014): 024004. https://doi.org/10.1103/PhysRevApplied.2.024004.
- Chou, Sharon, Johannes Voss, Igor Bargatin, Aleksandra Vojvodic, Roger Howe, and Frank Abild-Pedersen. “An Orbital-Overlap Model for Minimal Work Functions of Cesiated Metal Surfaces”, J. Phys.: Condens. Matter, 24 (2012): 445007. https://doi.org/10.1088/0953-8984/24/44/445007.