| Ammonia synthesis from first-principles calculations K Honkala, A Hellman, IN Remediakis, A Logadottir, A Carlsson, S Dahl, ... science 307 (5709), 555-558, 2005 | 1530 | 2005 |
| Controlling the catalytic bond-breaking selectivity of Ni surfaces by step blocking RT Vang, K Honkala, S Dahl, EK Vestergaard, J Schnadt, E Lægsgaard, ... Nature materials 4 (2), 160-162, 2005 | 351 | 2005 |
| Atomistic insights into nitrogen-cycle electrochemistry: a combined DFT and kinetic Monte Carlo analysis of NO electrochemical reduction on Pt (100) HJ Chun, V Apaja, A Clayborne, K Honkala, J Greeley ACS Catalysis 7 (6), 3869-3882, 2017 | 276 | 2017 |
| Metal ammine complexes for hydrogen storage CH Christensen, RZ Sørensen, T Johannessen, UJ Quaade, K Honkala, ... Journal of Materials Chemistry 15 (38), 4106-4108, 2005 | 274 | 2005 |
| Predicting catalysis: understanding ammonia synthesis from first-principles calculations A Hellman, EJ Baerends, M Biczysko, T Bligaard, CH Christensen, ... The Journal of Physical Chemistry B 110 (36), 17719-17735, 2006 | 261 | 2006 |
| Grand-canonical approach to density functional theory of electrocatalytic systems: Thermodynamics of solid-liquid interfaces at constant ion and electrode potentials MM Melander, MJ Kuisma, TEK Christensen, K Honkala The Journal of chemical physics 150 (4), 2019 | 255 | 2019 |
| Monoclinic zirconia, its surface sites and their interaction with carbon monoxide S Kouva, K Honkala, L Lefferts, J Kanervo Catalysis science & technology 5 (7), 3473-3490, 2015 | 196 | 2015 |
| On the compensation effect in heterogeneous catalysis T Bligaard, K Honkala, A Logadottir, JK Nørskov, S Dahl, CJH Jacobsen The Journal of Physical Chemistry B 107 (35), 9325-9331, 2003 | 195 | 2003 |
| Atomically precise, thiolated copper–hydride nanoclusters as single-site hydrogenation catalysts for ketones in mild conditions C Sun, N Mammen, S Kaappa, P Yuan, G Deng, C Zhao, J Yan, S Malola, ... ACS nano 13 (5), 5975-5986, 2019 | 192 | 2019 |
| Selectivity in Propene Dehydrogenation on Pt and Pt3Sn Surfaces from First Principles L Nykanen, K Honkala ACS catalysis 3 (12), 3026-3030, 2013 | 189 | 2013 |
| Coadsorption of NRR and HER Intermediates Determines the Performance of Ru-N4 toward Electrocatalytic N2 Reduction T Wu, MM Melander, K Honkala ACS Catalysis 12 (4), 2505-2512, 2022 | 176 | 2022 |
| Density functional theory study on propane and propene adsorption on Pt (111) and PtSn alloy surfaces L Nykanen, K Honkala The Journal of Physical Chemistry C 115 (19), 9578-9586, 2011 | 175 | 2011 |
| Quantum well states in two-dimensional gold clusters on MgO thin films X Lin, N Nilius, HJ Freund, M Walter, P Frondelius, K Honkala, ... Physical review letters 102 (20), 206801, 2009 | 152 | 2009 |
| Oxygen molecule dissociation on the Al (111) surface K Honkala, K Laasonen Physical review letters 84 (4), 705, 2000 | 146 | 2000 |
| Cation-induced changes in the inner- and outer-sphere mechanisms of electrocatalytic CO2 reduction X Qin, HA Hansen, K Honkala, MM Melander Nature Communications 14 (1), 7607, 2023 | 131 | 2023 |
| Ammonia synthesis and decomposition on a Ru-based catalyst modeled by first-principles A Hellman, K Honkala, IN Remediakis, A Logadottir, A Carlsson, S Dahl, ... Surface Science 603 (10-12), 1731-1739, 2009 | 131 | 2009 |
| Multidimensional effects on dissociation of N-2 on Ru (0001) C Díaz, JK Vincent, GP Krishnamohan, RA Olsen, GJ Kroes, JK Honkala, ... Physical review letters 96 (9), 096102, 2006 | 130 | 2006 |
| Carbon dioxide activation and reaction induced by electron transfer at an oxide–metal interface F Calaza, C Stiehler, Y Fujimori, M Sterrer, S Beeg, M Ruiz‐Oses, N Nilius, ... Angewandte Chemie International Edition 54 (42), 12484-12487, 2015 | 102 | 2015 |
| Water and carbon oxides on monoclinic zirconia: experimental and computational insights S Kouva, J Andersin, K Honkala, J Lehtonen, L Lefferts, J Kanervo Physical chemistry chemical physics 16 (38), 20650-20664, 2014 | 95 | 2014 |
| Au adsorption on regular and defected thin MgO (100) films supported by Mo K Honkala, H Häkkinen The Journal of Physical Chemistry C 111 (11), 4319-4327, 2007 | 95 | 2007 |
