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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
22732010
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
1422010
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
1272019
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
1252020
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
1012020
OH Formation and H2 Adsorption at the Liquid Water-Pt(111) Interface
HH Kristoffersen, T Vegge, HA Hansen
Chemical Science 9, 6912-6921, 2018
872018
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
862011
Structure of V2O5·nH2O Xerogels
HH Kristoffersen, H Metiu
J. Phys. Chem. C 120 (7), 3986-3992, 2016
822016
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
722013
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
472012
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
422020
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
372015
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
332016
Energy-entropy competition in cation-hydroxyl interactions at the liquid water-Pt(111) interface
HH Kristoffersen, K Chan, T Vegge, HA Hansen
Chemical Communications 56, 427-430, 2020
292020
Packing Defects into Ordered Structures: Strands on TiO2
R Bechstein, HH Kristoffersen, LB Vilhelmsen, F Rieboldt, ...
Physical Review Letters 108 (23), 236103, 2012
262012
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
222015
Density Functional Theory and Chromium: Insights from the Dimers
R Würdemann, HH Kristoffersen, M Moseler, M Walter
J. Chem. Phys 142 (12), 124316, 2015
212015
Towards constant potential modeling of CO-CO coupling at liquid water-Cu(100) interfaces
HH Kristoffersen, K Chan
Journal of Catalysis 396, 251-260, 2021
182021
Chemistry of Solvated Electrons in Molten Alkali Chloride Salts
HH Kristoffersen, H Metiu
J. Phys. Chem. C 122 (34), 19603-19612, 2018
152018
Reconstruction of Low-Index α-V2O5 Surfaces
HH Kristoffersen, H Metiu
J. Phys. Chem. C 119 (19), 10500-10506, 2015
152015
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Articles 1–20