2019

• 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

2018

• 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

2017

• N. Johansson, M. Andersen, Y. Monya, J.N. Andersen, H. Kondoh, J. Schnadt, J. Knudsen, Ambient pressure phase transitions over Ir(111): At the onset of CO oxidation, J. Phys. Condens. Matter 29, 444002 (2017), http://iopscience.iop.org/article/10.1088/1361-648X/aa8a44
• M. Andersen, C. Plaisance, K. Reuter, Assessment of mean-field microkinetic models for CO methanation on stepped metal surfaces using accelerated kinetic Monte Carlo, J. Chem. Phys. 147, 152705 (2017), http://aip.scitation.org/doi/full/10.1063/1.4989511
• M. Andersen, A.J. Medford, J.K. Nørskov, K. Reuter, Scaling-Relation-Based Analysis of Bifunctional Catalysis: The Case for Homogeneous Bimetallic Alloys, ACS Catal. 7, 3960 (2017), http://pubs.acs.org/doi/abs/10.1021/acscatal.7b00482
• K. Reuter, C. Plaisance, H. Oberhofer, M. Andersen, Perspective: On the Active Site Model in Computational Catalyst Screening, J. Chem. Phys. 146, 040901 (2017), http://aip.scitation.org/doi/full/10.1063/1.4974931

2016

• A.L. Skov, M. Andersen, J.D. Thrower, B. Jørgensen, B. Hammer, L. Hornekær, The Influence of Coronene Super-hydrogenation on Coronene-Graphite Interaction, J. Chem. Phys. 145, 174708 (2016), http://aip.scitation.org/doi/full/10.1063/1.4966259
• M. Andersen, A.J. Medford, J.K. Nørskov, K. Reuter, Analyzing the Case for Bifunctional Catalysis, Ang. Chem. Int. Ed. 55, 5210 (2016), http://onlinelibrary.wiley.com/doi/10.1002/anie.201601049/abstract
• G.J. Verbiest, C. Stampfer, S.E. Huber, M. Andersen, K. Reuter, Interplay between nanometer-scale strain variations and externally applied strain in graphene, Phys. Rev. B. 93, 195438 (2016), https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.195438

2015

• A. Bruix, H.G. Füchtbauer, A.K. Tuxen, A.S. Walton, M. Andersen, S. Porsgaard, F. Besenbacher, B. Hammer, J.V. Lauritsen, In Situ Detection of Active Edge Sites in Single-Layer MoS2 Catalysts, ACS Nano 9, 9322 (2015), http://pubs.acs.org/doi/abs/10.1021/acsnano.5b03199
• Y. Dappe, M, Andersen, R. Balog, L. Hornekær, X. Bouju, Adsorption and STM imaging of polycyclic aromatic hydrocarbons on graphene, Phys. Rev. B 91, 045427 (2015), https://journals.aps.org/prb/abstract/10.1103/PhysRevB.91.045427

2014

• M. Andersen, L. Hornekær, B. Hammer, Understanding intercalation structures formed under graphene on Ir(111), Phys. Rev. B 90, 155428 (2014), https://journals.aps.org/prb/abstract/10.1103/PhysRevB.90.155428
• S. Ulstrup, M. Andersen, M. Bianchi, L. Barreto, B. Hammer, L. Hornekær, P. Hofmann, Sequential oxygen and alkali intercalation of epitaxial graphene on Ir(111): Enhanced many-body effects and formation of pn-interfaces, 2D Mater. 1, 025002 (2014), http://iopscience.iop.org/article/10.1088/2053-1583/1/2/025002/meta

2013

• 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

2012

• L. Nilsson, M. Andersen, R. Balog, E. Lægsgaard, P. Hofmann, F. Besenbacher, B. Hammer, I. Steensgaard, L. Hornekær, Graphene coatings: Probing the limits of the one atom thick protection layer, ACS Nano 6, 10258 (2012), http://pubs.acs.org/doi/abs/10.1021/nn3040588
• M. Andersen, L. Hornekær, B. Hammer, Graphene on metal surfaces and its hydrogen adsorption: A meta-GGA functional study, Phys. Rev. B 86, 085405 (2012), https://journals.aps.org/prb/abstract/10.1103/PhysRevB.86.085405
• J. Thrower, B. Jørgensen, E.E. Friis, S. Baouche, V. Mennella,  A.C. Luntz, M. Andersen, B. Hammer, L. Hornekær, Experimental evidence for the formation of highly superhydrogenated polycyclic aromatic hydrocarbons through H atom addition and their catalytic role in H₂ formation, Astrophys. J. 752, 3 (2012), http://iopscience.iop.org/article/10.1088/0004-637X/752/1/3/meta
• L. Nilsson, M. Andersen, J. Bjerre, R. Balog, B. Hammer, L. Hornekær, I. Stensgaard, Preservation of the Pt(100) surface reconstruction after growth of a continuous layer of graphene, Surf. Sci. 606, 464 (2012), www.sciencedirect.com/science/article/pii/S0039602811004407

2011

• Z. Sljivancanin, M. Andersen, L. Hornekær, B. Hammer, Structure and stability of small H clusters on graphene, Phys. Rev. B 83, 205426 (2011), https://journals.aps.org/prb/abstract/10.1103/PhysRevB.83.205426

2010

• 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