Karoliina Honkala

Ammonia Synthesis from First-Principles Calculations

Karoliina Honkala, Anders Hellman, Ioannis N. Remediakis et al. · Science · 2005 · 1.3K citations

Engineering, Ruthenium Catalyst, Nanoparticle Ruthenium Catalyst +19

Controlling the catalytic bond-breaking selectivity of Ni surfaces by step blocking

Ronnie T. Vang, Karoliina Honkala, Søren Dahl et al. · Nature Materials · 2005 · 303 citations

Materials Science, Chemical Engineering, Engineering +9

Atomistic Insights into Nitrogen-Cycle Electrochemistry: A Combined DFT and Kinetic Monte Carlo Analysis of NO Electrochemical Reduction on Pt(100)

Hee‐Joon Chun, V. Apaja, Andre Z. Clayborne et al. · ACS Catalysis · 2017 · 277 citations · Full text

Engineering, Nitrogen-cycle Electrochemistry, Atomistic Insights +17

Grand-canonical approach to density functional theory of electrocatalytic systems: Thermodynamics of solid-liquid interfaces at constant ion and electrode potentials

Marko Melander, Mikael Kuisma, Thorbjørn Erik Køppen Christensen et al. · The Journal of Chemical Physics · 2018 · 222 citations · Full text

Engineering, Electrode-electrolyte Interface, Grand Canonical +18

Predicting Catalysis:  Understanding Ammonia Synthesis from First-Principles Calculations

Anders Hellman, E. J. Baerends, Małgorzata Biczysko et al. · The Journal of Physical Chemistry B · 2006 · 216 citations · Full text

Engineering, Computational Chemistry, Chemistry +18