Melissa A. Petersen

Revisiting CO Activation on Co Catalysts: Impact of Step and Kink Sites from DFT

Melissa A. Petersen, Jan-Albert van den Berg, Ionel M. Ciobîcă et al. · ACS Catalysis · 2017 · 79 citations

Engineering, Kink Sites, Computational Chemistry +19

Structural, electronic and magnetic properties of Gd investigated by DFT+<i>U</i>methods: bulk, clean and H-covered (0001) surfaces

Melissa A. Petersen, Jürgen Häfner, Martijn Marsman · Journal of Physics Condensed Matter · 2006 · 78 citations

Dft+u Calculations, Magnetic Properties, Engineering +22

Theory of Methane Dehydrogenation on Pt{110}(1 × 2). Part I:  Chemisorption of CH<i>_x</i>(<i>x</i>= 0 −3)

Melissa A. Petersen, Stephen J. Jenkins, David A. King · The Journal of Physical Chemistry B · 2004 · 61 citations

Engineering, Theoretical Inorganic Chemistry, Methane Dehydrogenation +19

Role of Step Sites and Surface Vacancies in the Adsorption and Activation of CO on χ-Fe₅C₂ Surfaces

Melissa A. Petersen, Jan-Albert van den Berg, Werner Janse van Rensburg · The Journal of Physical Chemistry C · 2010 · 45 citations

Materials Science, Inorganic Chemistry, Engineering +14

On the Kinetic Interpretation of DFT-Derived Energy Profiles: Cu-Catalyzed Methanol Synthesis

Werner Janse van Rensburg, Melissa A. Petersen, Michael S. Datt et al. · Catalysis Letters · 2014 · 44 citations

Materials Science, Kinetic Interpretation, Engineering +11