Henrik H. Kristoffersen
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Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
J Enkovaara, C Rostgaard, JJ Mortensen, J Chen, M Dułak, L Ferrighi, ...
J. Phys. Condens. Matter 22 (25), 253202, 2010
DFT+U study of defects in bulk rutile TiO2
J Stausholm-Møller, HH Kristoffersen, B Hinnemann, GKH Madsen, ...
J. Chem. Phys 133 (14), 144708, 2010
Steps on Rutile TiO2(110): Active Sites for Water and Methanol Dissociation
U Martinez, LB Vilhelmsen, HH Kristoffersen, J Stausholm-Møller, ...
Physical Review B 84 (20), 205434, 2011
Role of Steps in the Dissociative Adsorption of Water on Rutile TiO2(110)
HH Kristoffersen, JØ Hansen, U Martinez, YY Wei, J Matthiesen, R Streber, ...
Physical Review Letters 110 (14), 146101, 2013
Structure of V2O5·nH2O Xerogels
HH Kristoffersen, H Metiu
J. Phys. Chem. C 120 (7), 3986-3992, 2016
Reduced Step Edges on Rutile TiO2(110) as Competing Defects to Oxygen Vacancies on the Terraces and Reactive Sites for Ethanol Dissociation
U Martinez, JØ Hansen, E Lira, HH Kristoffersen, P Huo, R Bechstein, ...
Physical Review Letters 109 (15), 155501, 2012
OH Formation and H2 Adsorption at the Liquid Water-Pt(111) Interface
HH Kristoffersen, T Vegge, HA Hansen
Chemical Science 9, 6912-6921, 2018
Catechol and HCl Adsorption on TiO2(110) in Vacuum and at the Water–TiO2 Interface
HH Kristoffersen, JE Shea, H Metiu
J. Phys. Chem. Lett. 6 (12), 2277-2281, 2015
Packing Defects into Ordered Structures: Strands on TiO2
R Bechstein, HH Kristoffersen, LB Vilhelmsen, F Rieboldt, ...
Physical Review Letters 108 (23), 236103, 2012
Density Functional Theory and Chromium: Insights from the Dimers
R Würdemann, HH Kristoffersen, M Moseler, M Walter
J. Chem. Phys 142 (12), 124316, 2015
Reduction of CO2 with Water on Pt Loaded Rutile TiO2(110) Modeled with Density-functional Theory
N Umezawa, HH Kristoffersen, LB Vilhelmsen, B Hammer
J. Phys. Chem. C 120 (17), 9160-9164, 2016
Methane Pyrolysis with a Molten Cu-Bi Alloy Catalyst
C Palmer, M Tarazkar, HH Kristoffersen, J Gelinas, MJ Gordon, ...
ACS Catalysis 9 (9), 8337-8345, 2019
Molten LiCl Layer Supported on MgO: Its Possible Role in Enhancing the Oxidative Dehydrogenation of Ethane
HH Kristoffersen, H Metiu
J. Phys. Chem. C 119 (16), 8681-8691, 2015
Solvation at metal/water interfaces: An ab initio molecular dynamics benchmark of common computational approaches
HH Heenen, JA Gauthier, HH Kristoffersen, T Ludwig, K Chan
J. Chem. Phys. 152, 144703, 2020
Reconstruction of Low-Index α-V2O5 Surfaces
HH Kristoffersen, H Metiu
J. Phys. Chem. C 119 (19), 10500-10506, 2015
A Density Functional Theory Study of Atomic Steps on Stoichiometric Rutile TiO2(110)
J Stausholm-Møller, HH Kristoffersen, U Martinez, B Hammer
J. Chem. Phys 139 (23), 234704, 2013
Stability of V2O5 Supported on Titania in the Presence of Water, Bulk Oxygen Vacancies, and Adsorbed Oxygen Atoms
HH Kristoffersen, HL Neilson, SK Buratto, H Metiu
J. Phys. Chem. C 121 (15), 8444-8451, 2017
Interaction between Monomeric Vanadium Oxide Clusters Supported on Titania and Its Influence on Their Reactivity
HH Kristoffersen, H Metiu
J. Phys. Chem. C 120 (25), 13610-13621, 2016
Dipole-field interactions determine the CO2 reduction activity of 2D Fe-NC single atom catalysts
S Vijay, JA Gauthier, HH Heenen, VJ Bukas, HH Kristoffersen, K Chan
ACS Catalysis 10 (14), 7826-7835, 2020
Fingerprint Voltammograms of Copper Single Crystals under Alkaline Conditions: A Fundamental Mechanistic Analysis
A Tiwari, HH Heenen, AS Bjørnlund, T Maagaard, EA Cho, I Chorkendorff, ...
J. Phys. Chem. Lett. 11 (4), 1450-1455, 2020
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