• M. Andersen, J.S. Cingolani, K. Reuter, Ab initio thermodynamics of hydrocarbons relevant to graphene growth at solid and liquid Cu surfaces, (submitted), https://arxiv.org/abs/1906.05636
  • A. Bruix, J.T. Margraf, M. Andersen, K. Reuter, First-principles-based multiscale modelling of heterogeneous catalysis, Nat. Catal. (2019), https://www.nature.com/articles/s41929-019-0298-3
  • A.L. Jørgensen, D.A. Duncan, C.F.P. Kastorp, L. Kyhl, Z. Tang, A. Bruix, M. Andersen, B. Hammer, T.-L. Lee, L. Hornekær, R. Balog, Chemically-resolved determination of hydrogenated graphene–substrate interaction, Phys. Chem. Chem. Phys. 21, 13462 (2019), http://dx.doi.org/10.1039/C9CP02059D
  • M. Andersen, C. Panosetti, K. Reuter, A Practical Guide to Surface Kinetic Monte Carlo Simulations, Front. Chem. 7, 202 (2019), https://doi.org/10.3389/fchem.2019.00202
  • M. Andersen, S. Levchenko, M. Scheffler, K. Reuter, Beyond scaling relations for the description of catalytic materials, ACS Catal. 9, 2752 (2019), https://pubs.acs.org/doi/10.1021/acscatal.8b04478
  • R. Balog, A. Cassidy, J. Jørgensen, L. Kyhl, M. Andersen, A.G. Čabo, F. Ravani, L. Bignardi, P. Lacovig, S. Lizzit, L. Hornekær, Hydrogen interaction with graphene on Ir(111): a combined intercalation and functionalization study, J. Phys. Condens. Matter 31, 085001 (2019), https://iopscience.iop.org/article/10.1088/1361-648X/aaf76b


  • M. Andersen, X. Yu, M. Kick, Y. Wang, C. Wöll, K. Reuter, Infrared reflection–absorption spectroscopy and density functional theory investigations of ultrathin ZnO films formed on Ag (111), J. Phys. Chem. C 122, 4963 (2018), pubs.acs.org/doi/abs/10.1021/acs.jpcc.8b00158






  • L. Nilsson, M. Andersen, B. Hammer, I. Stensgaard, L. Hornekær, Breakdown of the graphene coating effect under sequential exposure to O2 and H2S, J. Phys. Chem. Lett. 4, 3770 (2013), http://pubs.acs.org/doi/abs/10.1021/jz402054e
  • E. Grånäs, M. Andersen, M.A. Arman, T. Gerber, B. Hammer, J. Schnadt, J.N. Andersen, T. Michely, J. Knudsen, CO Intercalation of graphene on Ir(111) in the millibar regime, J. Phys. Chem. C 117, 16438 (2013), http://pubs.acs.org/doi/abs/10.1021/jp4043045
  • J.D. Thrower, E.E. Friis, A.L. Skov, L. Nilsson, M. Andersen, L. Ferrighi, B. Jørgensen, S. Baouche, R. Balog, B. Hammer, L. Hornekær, Interaction between coronene and graphite from temperature-programmed desorption and DFT-vdW calculations: Importance of entropic effects and insights into graphite interlayer binding, J. Phys. Chem. C 117, 13520 (2013), http://pubs.acs.org/doi/abs/10.1021/jp404240h
  • R. Balog, M. Andersen, B. Jørgensen, Z. Sljivancanin, B. Hammer, A. Baraldi, R. Larziprete, P. Hofmann, L. Hornekær, S. Lizzit, Controlling hydrogenation of graphene on Ir(111), ACS Nano 7, 3823 (2013), http://pubs.acs.org/doi/abs/10.1021/nn400780x




  • R. Balog, B. Jørgensen, L. Nilsson, M. Andersen, E. Rienks, M. Bianchi, M. Fanetti, E. Lægsgaard, A. Baraldi, S. Lizzit, Z. Sljivancanin, F. Besenbacher, B. Hammer, T.G. Pedersen, P. Hofmann, L. Hornekær, Bandgap opening in graphene induced by patterned hydrogen adsorption, Nat. Mater. 9, 315 (2010), http://www.nature.com/nmat/journal/v9/n4/abs/nmat2710.html