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Mårten Björketun
Mårten Björketun
CAMD, Department of Physics, Technical University of Denmark
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Modeling the electrochemical hydrogen oxidation and evolution reactions on the basis of density functional theory calculations
E Skúlason, V Tripkovic, ME Björketun, S Gudmundsdóttir, G Karlberg, ...
The Journal of Physical Chemistry C 114 (42), 18182-18197, 2010
11502010
Bioinspired molecular co-catalysts bonded to a silicon photocathode for solar hydrogen evolution
Y Hou, BL Abrams, PCK Vesborg, ME Björketun, K Herbst, L Bech, ...
Nature materials 10 (6), 434-438, 2011
6812011
Universal transition state scaling relations for (de) hydrogenation over transition metals
S Wang, V Petzold, V Tripkovic, J Kleis, JG Howalt, E Skulason, ...
Physical Chemistry Chemical Physics 13 (46), 20760-20765, 2011
4292011
Modeling the electrified solid–liquid interface
J Rossmeisl, E Skúlason, ME Björketun, V Tripkovic, JK Nørskov
Chemical Physics Letters 466 (1-3), 68-71, 2008
4032008
Electrochemical CO2 and CO Reduction on Metal-Functionalized Porphyrin-like Graphene
V Tripkovic, M Vanin, M Karamad, ME Björketun, KW Jacobsen, ...
The Journal of Physical Chemistry C 117 (18), 9187-9195, 2013
2962013
Effect of acceptor dopants on the proton mobility in Ba Zr O 3: A density functional investigation
ME Björketun, PG Sundell, G Wahnström
Physical Review B 76 (5), 054307, 2007
1972007
Thermodynamics of doping and vacancy formation in BaZrO 3 perovskite oxide from density functional calculations
PG Sundell, ME Björketun, G Wahnström
Physical Review B 73 (10), 104112, 2006
1882006
Standard hydrogen electrode and potential of zero charge in density functional calculations
V Tripkovic, ME Björketun, E Skúlason, J Rossmeisl
Physical Review B 84 (11), 115452, 2011
1482011
Structure and thermodynamic stability of hydrogen interstitials in BaZrO 3 perovskite oxide from density functional calculations
ME Björketun, PG Sundell, G Wahnström
Faraday Discussions 134, 247-265, 2007
1482007
pH in atomic scale simulations of electrochemical interfaces
J Rossmeisl, K Chan, R Ahmed, V Tripković, ME Björketun
Physical Chemistry Chemical Physics 15 (25), 10321-10325, 2013
1322013
Density-functional calculations of prefactors and activation energies for H diffusion in Ba Zr O 3
PG Sundell, ME Björketun, G Wahnström
Physical Review B 76 (9), 094301, 2007
1292007
Vibrational properties of protons in hydrated Ba In x Zr 1− x O 3− x∕ 2
M Karlsson, ME Björketun, PG Sundell, A Matic, G Wahnström, D Engberg, ...
Physical Review B 72 (9), 094303, 2005
1092005
On the pH dependence of electrochemical proton transfer barriers
J Rossmeisl, K Chan, E Skulason, ME Björketun, V Tripkovic
Catalysis Today 262, 36-40, 2016
1052016
A kinetic Monte Carlo study of proton diffusion in disordered perovskite structured lattices based on first-principles calculations
ME Björketun, PG Sundell, G Wahnström, D Engberg
Solid State Ionics 176 (39-40), 3035-3040, 2005
1052005
Towards first principles modeling of electrochemical electrode–electrolyte interfaces
M Nielsen, ME Björketun, MH Hansen, J Rossmeisl
Surface Science 631, 2-7, 2015
902015
Screening of electrocatalytic materials for hydrogen evolution
ME Björketun, AS Bondarenko, BL Abrams, IB Chorkendorff, J Rossmeisl
Physical Chemistry Chemical Physics 12 (35), 10536-10541, 2010
902010
Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project
JS Hummelshøj, DD Landis, J Voss, T Jiang, A Tekin, N Bork, M Dułak, ...
The Journal of chemical physics 131 (1), 2009
842009
Avoiding pitfalls in the modeling of electrochemical interfaces
ME Björketun, ZH Zeng, R Ahmed, V Tripkovic, KS Thygesen, J Rossmeisl
Chemical Physics Letters 555, 145-148, 2013
662013
Path Integral Treatment of Proton Transport Processes in
Q Zhang, G Wahnström, ME Björketun, S Gao, E Wang
Physical review letters 101 (21), 215902, 2008
652008
Protonic defects in pure and doped La2Zr2O7 pyrochlore oxide
ME Björketun, CS Knee, BJ Nyman, G Wahnström
Solid State Ionics 178 (31-32), 1642-1647, 2008
622008
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