1. Subsurface Oxygen in Oxide-Derived Copper Electrocatalysts for Carbon Dioxide Reduction
André Eilert, Filippo Cavalca, Francis Sloan Roberts, Jürg Osterwalder, Chang Liu, Marco Favaro, Ethan J Crumlin, Hirohito Ogasawara, Daniel Friebel, Lars GM Pettersson, Anders Nilsson

2. Diffusive dynamics during the high-to-low density transition in amorphous ice
Fivos Perakis, Katrin Amann-Winkel, Felix Lehmkühler, Michael Sprung, Daniel Mariedahl, Jonas A. Sellberg, Harshad Pathak, Alexander Späh, Filippo Cavalca, Daniel Schlesinger, Alessandro Ricci, Avni Jain, Bernhard Massani, Flora Aubree, Chris J. Benmore, Thomas Loerting, Gerhard Grübel, Lars G. M. Pettersson, and Anders Nilsson

3. Modelling pH and Potential in Dynamic Structures of the Water/Pt (111) Interface on the Atomic Scale
Martin Hangaard Hangaard Hansen, Anders Nilsson, Jan Rosmeisl

4. How Cubic Can Ice Be?
Andrew J Amaya, Harshad Pathak, Viraj P Modak, Hartawan Laksmono, N Duane Loh, Jonas A Sellberg, Raymond G Sierra, Trevor A McQueen, Matt J Hayes, Garth J Williams, Marc Messerschmidt, Sébastien Boutet, Michael J Bogan, Anders Nilsson, Claudiu A Stan, Barbara E Wyslouzil

5. Temperature-Independent Nuclear Quantum Effects on the Structure of Water
Kyung Hwan Kim, Harshad Pathak, Alexander Späh, Fivos Perakis, Daniel Mariedahl, Jonas A Sellberg, Tetsuo Katayama, Yoshihisa Harada, Hirohito Ogasawara, Lars GM Pettersson, Anders Nilsson


1. Operando X-Ray Photoelectron Spectroscopy Studies of Aqueous Electrocatalytic Systems
Hirohito Ogasawara, Sarp Kaya and Anders Nilsson

2. Ambient-Pressure XPS Study of a Ni–Fe Electrocatalyst for the Oxygen Evolution Reaction
Harri Ali-Löytty, Mary W Louie, Meenesh R Singh, Lin Li, Hernan Guido Sanchez Casalongue, Hirohito Ogasawara, Ethan J Crumlin, Zhi Liu, Alexis T Bell, Anders Nilsson and Daniel Friebel

3. Electroreduction of Carbon Monoxide Over a Copper Nanocube Catalyst: Surface Structure and pH Dependence on Selectivity
F Sloan Roberts, Kendra P Kuhl, Anders Nilsson

4. Pt x Gd alloy formation on Pt (111): Preparation and structural characterization
Elisabeth T Ulrikkeholm, Anders F Pedersen, Ulrik G Vej-Hansen, Maria Escudero-Escribano, Ifan EL Stephens, Daniel Friebel, Apurva Mehta, Jakob Schiøtz, Robert K Feidenhansl, Anders Nilsson and Ib Chorkendorff

5. Requirements of first-principles calculations of X-ray absorption spectra of liquid water
Thomas Fransson, Iurii Zhovtobriukh, Sonia Coriani, Kjartan T Wikfeldt, Patrick Norman and Lars GM Pettersson

6. Formation of Copper Catalysts for CO2 Reduction with High Ethylene/Methane Product Ratio Investigated with In Situ X-ray Absorption Spectroscopy
Andre Eilert, F Sloan Roberts, Daniel Friebel, and Anders Nilsson

7. Evaporative cooling of microscopic water droplets in vacuo: Molecular dynamics simulations and kinetic gas theory
Daniel Schlesinger, Jonas A. Sellberg, Anders Nilsson and Lars G. M. Pettersson

8. Probing Water with X-ray Lasers
Anders Nilsson, Simon Schreck, F Perakis, LGM Pettersson

9. X-ray and simulation studies of water
Anders Nilsson, Daniel Schlesinger, LGM Pettersson

10. Water: A Tale of Two Liquids
Paola Gallo, Katrin Amann-Winkel, Charles Austen Angell, Mikhail Alexeevich Anisimov, Frédéric Caupin, Charusita Chakravarty, Erik Lascaris, Thomas Loerting, Athanassios Zois Panagiotopoulos, John Russo, Jonas Alexander Sellberg, Harry Eugene Stanley, Hajime Tanaka, Carlos Vega, Limei Xu, Lars Gunnar Moody Pettersson

11. X-ray and Electron Spectroscopy of Water
Thomas Fransson, Yoshihisa Harada, Nobuhiru Kosugi, Nicholas A. Besley, Bernd Winter, John Rehr, Lars G.M. Pettersson and Anders Nilsson

12. Water—The Most Anomalous Liquid
Lars Gunnar Moody Pettersson, Richard Henchman, Anders Nilsson

13. The temperature dependence of intermediate range oxygen-oxygen correlations in liquid water
Daniel Schlesinger, K Thor Wikfeldt, Lawrie B Skinner, Chris J Benmore, Anders Nilsson, Lars GM Pettersson

14. Chemical Bond Activation Observed with an X-ray Laser
Martin Beye, Henrik Öberg, Hongliang Xin, Georgi L Dakovski, Martina Dell’Angela, Alexander Föhlisch, Jörgen Gladh, Markus Hantschmann, Florian Hieke, Sarp Kaya, Danilo Kühn, Jerry LaRue, Giuseppe Mercurio, Michael P Minitti, Ankush Mitra, Stefan P Moeller, May Ling Ng, Anders Nilsson, Dennis Nordlund, Jens Nørskov, Henrik Ostrom, Hirohito Ogasawara, Mats Persson, William F Schlotter, Jonas A Sellberg, Martin Wolf, Frank Abild-Pedersen, Lars GM Pettersson, Wilfried Wurth

15. The structural validity of various thermodynamical models of supercooled water
Harshad Pathak, JC Palmer, Daniel Schlesinger, Kjartan Thor Wikfeldt, Jonas A Sellberg, Lars GM Pettersson, Anders Nilsson

16. Elucidating the electronic structure of supported gold nanoparticles and its relevance to catalysis by means of hard X-ray photoelectron spectroscopy
B. N. Reinecke, K.P. Kuhl, H. Ogasawara, L. Li, J. Voss, F. Abild-Pedersen, A. Nilsson, T. Jaramillo

17. Probing the nanoscale structure of the catalytically active overlayer on Pt alloys with rare earths
A. Pedersen, E. T. Ulrikkeholm, M. Escudero-Escribano, T. P. Johansson, P. Malacrdia, C. M. Pedersen , M. H. Hansen, K. D. Jensen, J. Rossmeisl, D. Friebel, A. Nilsson, I. Chorkendorff, I. E. L. Stephens

18. Vibrational Spectroscopy and Dynamics of Water
Fivos Perakis, Luigi De Marco, Andrey Shalit, Fujie Tang, Zachary R. Kann, Thomas D. Kühne, Renato Torre, Mischa Bonn, and Yuki Nagata

19. Vanadia-Based Catalysts for the Sulfur Dioxide Oxidation Studied In Situ by Transmission Electron Microscopy and Raman Spectroscopy
Cavalca, F., Beato, P., Hyldtoft, J., Christensen, K. & Helveg, S.


1. The structure of water; from ambient to deeply supercooled
L. G. M. Pettersson and A. Nilsson

2. Probing the transition state region in catalytic CO oxidation on Ru
H. Öström, H. Öberg, H. Xin, J. LaRue, M. Beye, M. Dell’Angela, J. Gladh, M. L. Ng, J. A. Sellberg, S. Kaya, G. Mercurio, D. Nordlund, M. Hantschmann, F. Hieke, D. Kühn, W. F. Schlotter, G. L. Dakovski, J. J. Turner, M. P. Minitti, A. Mitra, S. P. Moeller, A. Föhlisch, M. Wolf, W. Wurth, M. Persson, J. K. Nørskov, F. Abild-Pedersen, H. Ogasawara, L. G. M. Pettersson, and A. Nilsson

3. From the Sabatier Principle to a Predictive Theory of Transition-Metal Heterogeneous Catalysis
A. J. Medford, J. S. Hummelshøj, J. Voss, F. Abild-Pedersen, F. Studt, T. Bligaard, A. Nilsson, and J. K. Nørskov

4. The Enhanced Activity of Mass-Selected PtxGd nanoparticles for oxygen electroreduction
A. Velazquez-Palenzuela, F. Masini, A. F. Pedersen, M. Escudero-Escribano, D. Deiana, P. Malacrida, T. W. Hansen, D. Friebel, I. E. L. Stephens, I. Chorkendorff

5. Indication of non-thermal contribution to visible femtosecond laser-induced CO oxidation on Ru(0001)
H. Öberg, J. Gladh, K. Marks, H. Ogasawara, A. Nilsson, L. G. M. Pettersson and H. Öström

6. THz-Pulse-Induced Selective Catalytic CO Oxidation on Ru
J. LaRue, T. Katayama, A. Lindenberg, A. S. Fischer, H. Öström, A. Nilsson and H. Ogasawara

7. X-ray Spectroscopy, Scattering and Simulation Studies of Instantaneous Structures in Water (book chapter)
A. Nilsson, D. Schlesinger, L.G.M. Pettersson

8. High Selectivity for Ethylene from Carbon Dioxide Reduction over Copper Nanocube Electrocatalysts
F. S. Sloan, K. P. Kuhl and A. Nilsson

9. Strong Influence of Coadsorbate Interaction on CO Desorption Dynamics Probed by Ultrafast X-ray Spectroscopy and Ab Initio Simulations
H. Xin, J. LaRue, H. Öberg, M. Beye, M. Dell'Angela, J. J. Turner, J. Gladh, M. L. Ng, J. A. Sellberg, S. Kaya, G. Mercurio, F. Hieke, D. Nordlund, W. F. Schlotter, G. L. Dakovski, M. P. Minitti, A. Föhlisch, M. Wolf, W. Wurth, H. Ogasawara, J. K. Nørskov, H. Öström, L. G. M Pettersson, A. Nilsson, and F. Abild-Pedersen

10. Optical laser-induced CO desorption from Ru(0001) monitored with a free-electron X-ray laser: DFT prediction and X-ray confirmation of a precursor state
H. Öberg, J. Gladh, M. Dell'Angela, T. Anniyev, M. Beye, R. Coffee, A. Föhlisch, T. Katayama, S. Kaya, J. LaRue, A. Møgelhøj, D. Nordlund, H. Ogasawara, W. F. Schlotter, J. A. Sellberg, F. Sorgenfrei, J. J. Turner, M. Wolf, W. Wurth, H. Öström, A. Nilsson, J. K. Nørskov and L. G. M. Pettersson

11. Vacuum space charge effects in sub-picosecond soft X-ray photoemission on a molecular adsorbate layer
M. Dell'Angela, T. Anniyev, M. Beye, R. Coffee, A. Föhlisch, J. Gladh, S. Kaya, T. Katayama, O. Krupin, A. Nilsson, D. Nordlund, W. F. Schlotter, J. A. Sellberg, F. Sorgenfrei, J. J. Turner, H. Öström, H. Ogasawara, M. Wolf, W. Wurth

12. Determination of the surface electronic structure of Fe3O4(111) by soft X-ray spectroscopy
S. Kaya, H. Ogasawara and A. Nilsson

13. X-ray emission spectroscopy of bulk liquid water in "no-man's land"
J. A. Sellberg, T. McQueen, H. Laksmono, S. Schreck, M. Beye, D. P. DePonte, B. Kennedy, D. Nordlund, R. G. Sierra, D.Schlesinger, T. Tokushima, I. Zhovtobriukh, S. Eckert, V. H. Segtnan, H. Ogasawara, K. Kubicek, S. Techert, U. Bergmann, G. L. Dakovski, W. F. Schlotter, Y. Harada, M. J. Bogan, P. Wernet, A. Föhlisch, L. G. M. Pettersson and A. Nilsson

14. Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting
D. Friebel, M. W. Louie, M. Bajdich, K. E. Sanwald, Y. Cai, A. M. Wise, M. J. Cheng, D. Sokaras, T. C. Weng, R. Alonso-Mori, R. C. Davis, J. R. Bargar, J. K. Nørskov, A. Nilsson, A. T. Bell

15. Long-range ion–water and ion–ion interactions inaqueous solutions
C. Chen, C. Huang, I. Waluyo, T. Weiss, L. G. M. Pettersson and A. Nilsson

16. Low Barrier Carbon Induced CO Dissociation on Stepped Cu
M. L. Ng, F. Abild-Pedersen, S. Kaya, F. Mbuga, H. Ogasawara and A. Nilsson

17. Anomalous Behavior of the Homogeneous Ice Nucleation Rate in “No-Man’s Land”
H. Laksmono, T. A. McQueen, J. A. Sellberg, N. D. Loh, C. Huang, D. Schlesinger, R. G. Sierra, C. Y. Hampton, D. Nordlund, M. Beye, A. V. Martin, A. Barty, M. M. Seibert, M. Messerschmidt, G. J. Williams, S. Boutet, K. Amann-Winkel, T. Loerting, L. G. M. Pettersson, M. J. Bogan, and A. Nilsson

18. The structural origin of anomalous properties of liquid water
A. Nilsson and L. G. M. Pettersson

19. Detection of Adsorbate Overlayer Structural Transitions Using Sum-Frequency Generation Spectroscopy
J. Gladh, H. Öberg, L. G. M. Pettersson and H. Öström

20. Theoretical analysis of hydrogen spillover mechanism on carbon nanotubes
Rosalba Juarez-Mosqueda, Andreas Mavrandonakis, Agnieszka Kuc, Lars G. M. Pettersson, Thomas Heine

21. Theoretical study of the X-ray natural circular dichroism of some crystalline amino acids
Osamu Takahashi, Mai Kimoto, and Lars G. M. Pettersson

22. The electrocatalytic properties of doped TiO2
Rasmus K. B. Karlsson, Ann Cornell and Lars G. M. Pettersson

23. Requirements of first-principles calculations of X-ray absorption spectra of liquid water
Thomas Fransson, Iurii Zhovtobriukh, Sonia Coriani, Thor Wikfeldt, Patrick Norman, and Lars G. M. Pettersson


1. Operando characterization of an amorphous molybdenum sulfide nanoparticle catalyst during the hydrogen evolution reaction
H. S. Casalongue, J. D. Benck, S. Kaya, M. L. N, H. Ogasawara, T. F. Jaramillo and A.Nilsson

2. Reabsorption of Soft X-ray Emission at High X-ray Free-Electron Laser Fluences
S. Schreck, M. Beye, J. A. Sellberg, T. McQueen, H. Laksmono, B. Kennedy, S. Eckert, D.Schlesinger, D. Nordlund, H. Ogasawara, R. G. Sierra, V. H. Segtnan, K. Kubicek, W. F. Schlotter, G. L. Dakovski, S. P. Moeller, U. Bergmann, S. Techert, L. G. M. Pettersson, P. Wernet, M. J. Bogan, Y. Harada, A. Nilsson and A. Föhlisch

3. Preparation, Structure, and Orientation of Pyrite FeS2{100} Surfaces: Anisotropy, Sulfur Monomers, Dimer Vacancies, and a Possible FeS Surface Phase
K. Andersson, H. Ogasawara, D. Nordlund, G. E. Brown and A. Nilsson

4. Mass-selected nanoparticles of PtxY as model catalysts for oxygen electroreduction
P. Hernandez-Fernandez, F. Masini, D. N.McCarthy, C. E. Strebel, D. Friebel, D. Deiana, P. Malacrida, A. Nierhoff, A. Bodin, A. M. Wise, J. H. Nielsen, T. W. Hansen, A. Nilsson, I. E. L. Stephens and I. Chorkendorff

5. Comparison of x-ray absorption spectra between water and ice: new ice data with low pre-edge absorption cross-section
J. A. Sellberg, S. Kaya, V. H. Segtnan, C. Chen, T. Tyliszczak, H. Ogasawara, D. Nordlund, L. G. M. Pettersson and A. Nilsson

6. In Situ Observation of Surface Species on Iridium Oxide Nanoparticles during the Oxygen Evolution Reaction
H. G. Sanchez Casalongue, M. L. Ng, S. Kaya, D. Friebel, H. Ogasawara and A. Nilsson

7. A Different View of Structure-Making and Structure-Breaking in Alkali Halide Aqueous Solutions through X-ray Absorption Spectroscopy
I. Waluyo, D. Nordlund, U. Bergmann, D. Schlesinger, L.G.M. Pettersson and A. Nilsson

8. Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature
J. A. Sellberg, C. Huang, T. A. McQueen, N. D. Loh, H. Laksmono, D. Schlesinger, R. G. Sierra, D. Nordlund, C. Y. Hampton, D. Starodub, D. P. DePonte, M. Beye, C. Chen, A. V. Martin, A. Barty, K. T. Wikfeldt, T. M. Weiss, C. Caronna, J. Feldkamp, L. B. Skinner, M. M. Seibert, M. Messerschmidt, G. J.Williams, S. Boutet, L. G. M. Pettersson, M. J. Bogan and A. Nilsson

9. Different Reactivity of the Various Platinum Oxides and Chemisorbed Oxygen in CO Oxidation on Pt(111)
D. J. Miller, H. S. Casalongue, H. Bluhm, H. Ogasawara, A. Nilsson and S. Kaya

10. Structure, Redox Chemistry, and Interfacial Alloy Formation in Monolayer and Multilayer Cu/Au(111) Model Catalysts for CO2 Electroreduction
D. Friebel, F. Mbuga, S. Rajasekaran, D. J.Miller, H. Ogasawara, R. Alonso-Mori, D. Sokaras, D.Nordlund, T. C. Weng and A. Nilsson

11. A Molecular Perspective on the d-band Model; Synergy between Experiment and Theory
L. G. M. Pettersson and A. Nilsson

12. Ti atoms in Ru0.3Ti0.7O2 mixed oxides form active and selective sites for electrochemical chlorine evolution
Rasmus K.B. Karlsson, Heine Hansen, Thomas Bligaard, Ann Cornell, and Lars G.M. Pettersson


P. Wernet, D. Nordlund, U. Bergmann, H. Ogasawara, M. Cavalleri, L.Å. Näslund, T. K. Hirsch, L. Ojamäe, P. Glatzel, M. Odelius, L.G.M. Pettersson, and A. Nilsson
The Structure of the First Coordination Shell in Liquid Water

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