Bjørk Hammer

  1. 2019
  2. Published

    Effects of Gas-Phase Conditions and Particle Size on the Properties of Cu(111)-Supported ZnyOxParticles Revealed by Global Optimization and Ab Initio Thermodynamics. / Reichenbach, Thomas; Walter, Michael; Moseler, Michael; Hammer, Bjørk; Bruix, Albert.

    In: Journal of Physical Chemistry C, Vol. 123, No. 51, 12.2019, p. 30903-30916.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  3. Published

    Atomistic structure learning. / Jorgensen, Mathias S.; Mortensen, Henrik L.; Meldgaard, Soren A.; Kolsbjerg, Esben L.; Jacobsen, Thomas L.; Sorensen, Knud H.; Hammer, Bjork.

    In: Journal of Chemical Physics, Vol. 151, No. 5, 054111, 08.2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  4. Published

    Chemically-resolved determination of hydrogenated graphene-substrate interaction. / Jorgensen, Anders L.; Duncan, David A.; Kastorp, Claus F. P.; Kyhl, Line; Tang, Zeyuan; Bruix, Albert; Andersen, Mie; Hammer, Bjork; Lee, Tien-Lin; Hornekaer, Liv; Balog, Richard.

    In: Physical Chemistry Chemical Physics, Vol. 21, No. 25, 07.2019, p. 13462-13466.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  5. Published

    Constructing convex energy landscapes for atomistic structure optimization. / Chiriki, Siva; Verner Christiansen, Mads-Peter; Hammer, Bjørk.

    In: Physical Review B, Vol. 100, 235436, 2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  6. 2018
  7. Published

    Water Dissociation and Hydroxyl Ordering on Anatase TiO2 (001)- (1×4). / Beinik, Igor; Bruix, Albert; Li, Zheshen; Adamsen, Kræn C.; Koust, Stig; Hammer, Bjørk; Wendt, Stefan; Lauritsen, Jeppe V.

    In: Physical Review Letters, Vol. 121, No. 20, 206003, 15.11.2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  8. Published

    An extended chiral surface coordination network based on Ag-7-clusters. / Svane, Katrine L.; Baviloliaei, Mahdi S.; Hammer, Bjork; Diekhoner, Lars.

    In: Journal of Chemical Physics, Vol. 149, No. 16, 164710, 28.10.2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  9. Published

    Machine learning enhanced global optimization by clustering local environments to enable bundled atomic energies. / Meldgaard, Soren A.; Kolsbjerg, Esben L.; Hammer, Bjork.

    In: Journal of Chemical Physics, Vol. 149, 134104, 07.10.2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  10. Published

    Atomic Energies from a Convolutional Neural Network. / Chen, Xin; Jorgensen, Mathias S.; Li, Jun; Hammer, Bjork.

    In: Journal of Chemical Theory and Computation, Vol. 14, No. 7, 10.07.2018, p. 3933-3942.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  11. Published

    Visualizing hydrogen-induced reshaping and edge activation in MoS2 and Co-promoted MoS2 catalyst clusters. / Gronborg, Signe S.; Salazar, Norberto; Bruix, Albert; Rodriguez-Fernandez, Jonathan; Thomsen, Sean D.; Hammer, Bjork; Lauritsen, Jeppe V.

    In: Nature Communications, Vol. 9, 2211, 07.06.2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  12. Published

    Accelerating atomic structure search with cluster regularization. / Sørensen, Knud Haugaard; Jørgensen, Mathias S.; Fusté, Albert Bruix; Hammer, Bjørk.

    In: Journal of Chemical Physics, Vol. 148, No. 24, 29.05.2018, p. 241734.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  13. Published

    Neural-network-enhanced evolutionary algorithm applied to supported metal nanoparticles. / Kolsbjerg, E. L.; Peterson, A. A.; Hammer, B.

    In: Physical Review B, Vol. 97, No. 19, 195424, 16.05.2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  14. Published

    Tight-Binding Approximation-Enhanced Global Optimization. / Van den Bossche, Maxime; Gronbeck, Henrik; Hammer, Bjork.

    In: Journal of Chemical Theory and Computation, Vol. 14, No. 5, 05.2018, p. 2797-2807.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  15. Published

    Exploration versus Exploitation in Global Atomistic Structure Optimization. / Jorgensen, Mathias S.; Larsen, Uffe F.; Jacobsen, Karsten W.; Hammer, Bjork.

    In: Journal of Physical Chemistry A, Vol. 122, No. 5, 08.02.2018, p. 1504-1509.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  16. Published

    Erratum: “An automated nudged elastic band method” [J. Chem. Phys. 145, 094107 (2016)]. / Kolsbjerg, Esben L.; Groves, Michael N.; Hammer, Bjork.

    In: Journal of Chemical Physics, Vol. 148, No. 2, 029903, 14.01.2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  17. Published

    On-the-Fly Machine Learning of Atomic Potential in Density Functional Theory Structure Optimization. / Jacobsen, T. L.; Jorgensen, M. S.; Hammer, B.

    In: Physical Review Letters, Vol. 120, No. 2, 026102, 12.01.2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  18. Published

    Exciting H2 Molecules for Graphene Functionalization. / Kyhl, Line; Bisson, Regis; Balog, Richard; Groves, Michael N; Kolsbjerg, Esben Leonhard; Cassidy, Andrew Martin; Jørgensen, Jakob Holm; Halkjær, Susanne; Miwa, Jill A; Čabo, Antonija Grubišić; Angot, Thierry; Hofmann, Philip; Arman, Mohammad Alif; Urpelainen, Samuli; Lacovig, Paolo; Bignardi, Luca; Bluhm, Hendrik; Knudsen, Jan; Hammer, Bjørk; Hornekaer, Liv.

    In: ACS Nano, Vol. 12, 2018, p. 513-520.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  19. Published

    NH3 adsorption on anatase-TiO2(101). / Koust, Stig; Adamsen, Kræn C.; Kolsbjerg, Esben Leonhard; Li, Zheshen; Hammer, Bjørk; Wendt, Stefan; Lauritsen, Jeppe V.

    In: The Journal of Chemical Physics, Vol. 148, No. 12, 124704, 2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  20. Published

    Rotation and diffusion of naphthalene on Pt(111). / Kolsbjerg, E. L.; Goubert, Guillaume; McBreen, P. H.; Hammer, B.

    In: The Journal of Chemical Physics, Vol. 148, No. 12, 124703, 2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  21. 2017
  22. Published

    Substrate-induced semiconductor-to-metal transition in monolayer WS2. / Dendzik, Maciej; Fusté, Albert Bruix; Michiardi, Matteo; Ngankeu, Arlette Sohanfo; Bianchi, Marco; Miwa, Jill; Hammer, Bjørk; Hofmann, Philip; Sanders, Charlotte.

    In: Physical Review B, Vol. 96, No. 23, 235440, 26.12.2017.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  23. Published

    Influence of CH center dot center dot center dot N Interaction in the Self-Assembly of an Oligo(isoquinolyne-ethynylyne) Molecule with Distinct Conformational States. / Nuermaimaiti, Ajiguli; Ning, Yanxiao; Cramer, Jacob L.; Svane, Katrine L.; Hammer, Bjork; Gothelf, Kurt V.; Linderoth, Trolle R.

    In: Langmuir, Vol. 33, No. 41, 17.10.2017, p. 10782-10791.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  24. Published

    Structure of the SnO2(110)-(4 x 1) Surface. / Merte, Lindsay R.; Jorgensen, Mathias S.; Pussi, Katariina; Gustafson, Johan; Shipilin, Mikhail; Schaefer, Andreas; Zhang, Chu; Rawle, Jonathan; Nicklin, Chris; Thornton, Geoff; Lindsay, Robert; Hammer, Bjork; Lundgren, Edvin.

    In: Physical Review Letters, Vol. 119, No. 9, 096102, 31.08.2017.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  25. Published

    Supramolecular Corrals on Surfaces Resulting from Aromatic Interactions of Nonplanar Triazoles. / Jethwa, Siddharth; Kolsbjerg, Esben Leonhard; Vadapoo, Sundar Raja; Lind Cramer , Jacob ; Lammich, Lutz; Gothelf, Kurt Vesterager; Hammer, Bjørk; Linderoth, Trolle René.

    In: ACS Nano, Vol. 11, No. 8, 01.08.2017, p. 8302-8310.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  26. Published

    The atomic simulation environment-a Python library for working with atoms. / Hjorth Larsen, Ask; Mortensen, Jens Jorgen; Blomqvist, Jakob; Castelli, Ivano E.; Christensen, Rune; Dulak, Marcin; Friis, Jesper Deleuran ; Groves, Michael N.; Hammer, Bjork; Hargus, Cory; Hermes, Eric D.; Jennings, Paul C.; Jensen, Peter Bjerre; Kermode, James; Kitchin, John R.; Kolsbjerg, Esben Leonhard; Kubal, Joseph; Kaasbjerg, Kristen; Lysgaard, Steen; Maronsson, Jon Bergmann; Maxson, Tristan; Olsen, Thomas; Pastewka, Lars; Peterson, Andrew T; Rostgaard, Carsten; Schiotz, Jakob; Schutt, Ole; Strange, Mikkel; Thygesen, Kristian S.; Vegge, Tejs; Vilhelmsen, Lasse; Walter, Michael; Zeng, Zhenhua; Jacobsen, Karsten W.

    In: Journal of Physics: Condensed Matter, Vol. 29, No. 27, 273002, 07.06.2017.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  27. Published

    Monitoring interconversion between stereochemical states in single chirality-transfer complexes on a platinum surface. / Goubert, Guillaume; Dong, Yi; Groves, Michael N.; Lemay, J.-C.; Hammer, Bjork; McBreen, Peter H.

    In: Nature Chemistry, Vol. 9, No. 6, 06.2017, p. 531-536.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  28. Published

    Structure and Dynamics of Individual Diastereomeric Complexes on Platinum : Surface Studies Related to Heterogeneous Enantioselective Catalysis. / Dong, Yi; Goubert, Guillaume; Groves, Michael N.; Lemay, Jean-Christian; Hammer, Bjork; McBreen, Peter H.

    In: Accounts of Chemical Research, Vol. 50, No. 5, 05.2017, p. 1163-1170.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  29. Published

    Water-Gas-Shift over Metal-Free Nanocrystalline Ceria : An Experimental and Theoretical Study. / Guild, Curtis J.; Vovchok, Dimitriy; Kriz, David A.; Fusté, Albert Bruix; Hammer, Bjork; Llorca, Jordi; Xu, Wenqian; El-Sawy, Abdelhamid; Biswas, Sourav; Rodriguez, Jose A.; Senanayake, Sanjaya D.; Suib, Steven L.

    In: ChemCatChem, Vol. 9, No. 8, 21.04.2017, p. 1373-1377.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  30. Published

    Combining Evolutionary Algorithms with Clustering toward Rational Global Structure Optimization at the Atomic Scale. / Jørgensen, Mathias; Groves, Michael N.; Hammer, Bjork.

    In: Journal of Chemical Theory and Computation, Vol. 13, No. 3, 03.2017, p. 1486-1493.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  31. 2016
  32. Published

    An automated nudged elastic band method. / Kolsbjerg, Esben L.; Groves, Michael N.; Hammer, Bjork.

    In: Journal of Chemical Physics, Vol. 145, No. 9, 094107, 07.09.2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  33. Published

    Crystalline and electronic structure of single-layer TaS2. / Sanders, Charlotte E.; Dendzik, Maciej; Ngankeu, Arlette S.; Eich, Andreas; Bruix, Albert; Bianchi, Marco; Miwa, Jill A.; Hammer, Bjork; Khajetoorians, Alexander A.; Hofmann, Philip.

    In: Physical Review B, Vol. 94, No. 8, 081404, 03.08.2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  34. Published

    Reduction of CO2 with Water on Pt-Loaded Rutile TiO2(110) Modeled with Density Functional Theory. / Umezawa, Naoto; Kristoffersen, Henrik H.; Vilhelmsen, Lasse B.; Hammer, Bjork.

    In: The Journal of Physical Chemistry Part C, Vol. 120, No. 17, 05.05.2016, p. 9160-9164.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  35. Published

    Pyridine adsorption and diffusion on Pt(111) investigated with density functional theory. / Kolsbjerg, Esben L.; Groves, Michael N.; Hammer, Bjork.

    In: Journal of Chemical Physics, Vol. 144, No. 16, 164112, 28.04.2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  36. Published

    Band-gap engineering by Bi intercalation of graphene on Ir(111). / Warmuth, Jonas; Bruix, Albert; Michiardi, Matteo; Haenke, Torben; Bianchi, Marco; Wiebe, Jens; Wiesendanger, Roland; Hammer, Bjork; Hofmann, Philip; Khajetoorians, Alexander A.

    In: Physical Review B, Vol. 93, No. 16, 165437, 27.04.2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  37. Published

    Single-layer MoS2 on Au(111): Band gap renormalization and substrate interaction. / Bruix, Albert; Miwa, Jill; Hauptmann, Nadine; Wegner, Daniel; Ulstrup, Søren; Grønborg, Signe Strange; Sanders, Charlotte; Dendzik, Maciej; Grubisic Cabo, Antonija; Bianchi, Marco; Lauritsen, Jeppe V.; Khajetoorians, Alexander A.; Hammer, Bjørk; Hofmann, Philip.

    In: Physical Review B, Vol. 93, No. 16, 165422, 18.04.2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  38. Published

    A comparative study of diastereomeric complexes formed by a prochiral substrate and three structurally analogous chiral molecules on Pt(111). / Lemay, Jean-Christian; Dong, Yi; Groves, Michael N.; Demers-Carpentier, Vincent; Goubert, Guillaume; Lafleur-Lambert, Raphael; Boukouvalas, John; Hammer, Bjork; McBreen, Peter H.

    In: Surface Science, Vol. 646, 04.2016, p. 13-18.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  39. Published

    Structure and role of metal clusters in a metal-organic coordination network determined by density functional theory. / Svane, K. L.; Linderoth, T. R.; Hammer, B.

    In: The Journal of Chemical Physics, Vol. 144, No. 8, 084708, 28.02.2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  40. Published

    Effects of particle size and edge structure on the electronic structure, spectroscopic features, and chemical properties of Au(111)-supported MoS2 nanoparticles. / Bruix, Albert; Lauritsen, Jeppe V.; Hammer, Bjørk.

    In: Faraday Discussions, Vol. 188, 2016, p. 323-343.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  41. Published

    Selection of conformational states in surface self-assembly for a molecule with eight possible pairs of surface enantiomers. / Nuermaimaiti, Ajiguli; Schultz-Falk, Vickie; Lind Cramer , Jacob ; Svane, Katrine Louise; Hammer, Bjørk; Gothelf, Kurt Vesterager; Linderoth, Trolle René.

    In: Chemical Communications, Vol. 52, No. 97, 2016, p. 14023-14026.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  42. Published

    Symmetry-Driven Band Gap Engineering in Hydrogen Functionalized Graphene. / Jørgensen, Jakob Holm; Grubisic Cabo, Antonija; Balog, Richard; Hansen, Line Kyhl; Groves, Michael N.; Cassidy, Andrew Martin; Bruix, Albert; Bianchi, Marco; Dendzik, Maciej; Arman, Mohammad Alif; Lammich, Lutz; Pascual, José Ignacio; Knudsen, Jan; Hammer, Bjørk; Hofmann, Philip; Hornekaer, Liv.

    In: A C S Nano, Vol. 10, No. 12, 2016, p. 10798-10807.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  43. Published

    The influence of coronene super-hydrogenation on the coronene-graphite interaction. / Skov, Anders W.; Andersen, Mie; Thrower, John D.; Jorgensen, Bjarke; Hammer, Bjork; Hornekaer, Liv.

    In: Journal of Chemical Physics, Vol. 145, No. 17, 174708, 2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  44. Published

    Unravelling site-specific photo-reactions of ethanol on rutile TiO2(110). / Hansen, Jonas Ørbæk; Bebensee, Regine; Martinez, Umberto; Porsgaard, Søren; Salazar, Estephania Lira; Wei, Yinying; Lammich, Lutz; Li, Zheshen; Idriss, Hicham; Besenbacher, Flemming; Hammer, Bjørk; Wendt, Stefan.

    In: Scientific Reports, Vol. 6, 2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  45. 2015
  46. Published

    Growth and electronic structure of epitaxial single-layer WS2 on Au(111). / Dendzik, Maciej; Michiardi, Matteo; Sanders, Charlotte; Bianchi, Marco; Miwa, Jill A.; Grønborg, Signe S.; Lauritsen, Jeppe V.; Bruix, Albert; Hammer, Bjork; Hofmann, Philip.

    In: Physical Review B, Vol. 92, No. 24, 245442, 28.12.2015.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  47. Published

    Isolating a Reaction Intermediate in the Hydrogenation of 2,2,2-Trifluoroacetophenone on Pt(111). / Goubert, Guillaume; Groves, Michael N.; Dong, Yi; Lemay, Jean-Christian; McBreen, Peter H.; Hammer, Bjørk.

    In: The Journal of Physical Chemistry Part C, Vol. 119, No. 13, 02.04.2015, p. 7319-7326.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  48. Published

    Selection of conformational states in self-assembled surface structures formed from an oligo(naphthylene-ethynylene) 3-bit binary switch. / Ning, Yanxiao; Cramer, Jacob Roland; Nuermaimaiti, Ajiguli; Svane, Katrine Louise; Yu, Miao; Lægsgaard, Erik; Besenbacher, Flemming; Xue, Q.-K.; Ma, X; Hammer, Bjørk; Gothelf, Kurt Vesterager; Linderoth, Trolle René.

    In: Journal of Chemical Physics, Vol. 142, 101922, 14.03.2015.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  49. Published

    Erratum : Hydrogen bond rotations as a uniform structural tool for analyzing protein architecture. / Penner, Robert C.; Andersen, Ebbe S.; Jensen, Jens L.; Kantcheva, Adriana K.; Bublitz, Maike; Nissen, Poul; Rasmussen, Anton M.H.; Svane, Katrine L.; Hammer, Bjørk; Rezazadegan, Reza; Nielsen, Niels Chr; Nielsen, Jakob T.; Andersen, Jørgen E.

    In: Nature Communications, Vol. 6, 6209, 03.02.2015.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperComment/debateResearchpeer-review

  50. Published

    In Situ Detection of Active Edge Sites in Single-Layer MoS2 Catalysts. / Bruix, Albert; Fuchtbauer, Henrik Gobel; Tuxen, Anders K.; Walton, Alexander S.; Andersen, Mie; Porsgaard, Soren; Besenbacher, Flemming; Hammer, Bjork; Lauritsen, Jeppe V.

    In: A C S Nano, Vol. 9, No. 9, 2015, p. 9322-9330.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  51. Published

    Single-chiral-catalytic-surface-sites : STM and DFT study of stereodirecting complexes formed between (R)-1-(1-naphthyl)ethylamine and ketopantolactone on Pt(111). / Svane, Katrine; Dong, Yi; Groves, Michael N.; Demers-Carpentier, Vincent; Lemay, Jean-Christian; Ouellet, Mireille; Hammer, Bjork; McBreen, Peter H.

    In: Catalysis Science & Technology, Vol. 5, No. 2, 2015, p. 743-753.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  52. 2014
  53. Published

    Hydrogen bond rotations as a uniform structural tool for analyzing protein architecture. / Penner, Robert; Andersen, Ebbe Sloth; Jensen, Jens Ledet; Kantcheva, Adriana Krassimirova; Bublitz, Maike; Nissen, Poul; Rasmussen, Anton Michael Havelund; Svane, Katrine Louise; Hammer, Bjørk; Rezazadegan, Reza; Nielsen, Niels Christian; Nielsen, Jakob Toudahl; Andersen, Jørgen Ellegaard.

    In: Nature Communications, Vol. 5, 5803, 17.12.2014.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  54. Published

    Understanding intercalation structures formed under graphene on Ir(111). / Andersen, Mie; Hornekær, Liv; Hammer, Bjørk.

    In: Physical Review B - Condensed Matter and Materials Physics, Vol. 90, No. 15, 155428, 16.10.2014.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  55. Published

    Sequential Oxygen and Alkali Intercalation of Epitaxial Graphene on Ir(111): Enhanced Many-Body Effects and Formation of pn-interfaces. / Ulstrup, Søren; Andersen, Mie; Bianchi, Marco; Barreto, Lucas; Hammer, Bjørk; Hornekær, Liv; Hofmann, Philip.

    In: 2D materials, Vol. 1, 025002, 13.08.2014.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  56. Published

    Identification of the catalytic site at the interface perimeter of Au clusters on rutile TiO2(110). / Vilhelmsen, Lasse B.; Hammer, Bjørk.

    In: A C S Catalysis, Vol. 4, No. 6, 06.06.2014, p. 1626-1631.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  57. Published

    Modeling Methyl Chloride Photo Oxidation by Oxygen Species on TiO2(110). / Kristoffersen, Henrik Høgh; Martinez, Umberto; Hammer, Bjørk.

    In: Topics in Catalysis, Vol. 57, No. 1-4, 02.2014, p. 171-176.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  58. Published

    A genetic algorithm for first principles global structure optimization of supported nano structures. / Vilhelmsen, Lasse B.; Hammer, Bjørk.

    In: Journal of Chemical Physics, Vol. 141, No. 4, 044711, 2014.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  59. Published

    A surface coordination network based on copper adatom trimers. / Bebensee, Fabian; Svane, Katrine; Bombis, Christian; Masini, Federico; Klyatskaya, Svetlana; Besenbacher, Flemming; Ruben, Mario; Hammer, Bjørk; Linderoth, Trolle R.

    In: Angewandte Chemie International Edition, Vol. 53, No. 47, 2014, p. 12955-12959.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  60. Published

    Nucleation and growth of Pt nanoparticles on reduced and oxidized rutile TiO2 (110). / Rieboldt, F.; Vilhelmsen, L. B.; Hansen, Stig Koust; Lauritsen, J. V.; Helveg, S.; Lammich, L.; Besenbacher, F.; Hammer, B.; Wendt, S.

    In: Journal of Chemical Physics, Vol. 141, No. 21, 214702, 2014.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  61. Published

    Remote activation of chemical bonds in heterogeneous catalysis. / Rasmussen, Anton M H; Groves, Michael N.; Hammer, Bjørk.

    In: A C S Catalysis, Vol. 4, No. 4, 2014, p. 1182-1188.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  62. Published

    Structure determination of chemisorbed chirality transfer complexes: Accelerated STM analysis and exchange-correlation functional sensitivity. / Groves, M. N.; Goubert, G.; Rasmussen, A. M H; Dong, Y.; Lemay, J. C.; Demers-Carpentier, V.; McBreen, P. H.; Hammer, B.

    In: Surface Science, Vol. 629, 2014, p. 48-56.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  63. Published

    Thermodynamic aspects of dehydrogenation reactions on noble metal surfaces. / Svane, K. L.; Hammer, B.

    In: Journal of Chemical Physics, Vol. 141, No. 17, 174705, 2014.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  64. Published

    Walking-like diffusion of two-footed asymmetric aromatic adsorbates on Pt(111). / Goubert, Guillaume; Rasmussen, Anton M H; Dong, Yi; Groves, Michael N.; McBreen, Peter H.; Hammer, Bjørk.

    In: Surface Science, Vol. 629, 2014, p. 123-131.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  65. 2013
  66. Published

    Interfacial oxygen under TiO2 supported Au clusters revealed by a genetic algorithm search. / Vilhelmsen, Lasse Baarvig; Hammer, B.

    In: Journal of Chemical Physics, Vol. 139, No. 20, 204701, 28.11.2013.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  67. Published

    A density functional theory study of atomic steps on stoichiometric rutile TiO2(110). / Stausholm-Møller, Jess; Kristoffersen, Henrik Ho̸gh; Martinez, Umberto; Hammer, Bjørk.

    In: Journal of Chemical Physics, Vol. 139, No. 23, 21.11.2013, p. 234704.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  68. Published

    Breakdown of the Graphene Coating Effect under Sequential Exposure to O2 and H2S. / Nilsson, Louis; Andersen, Mie; Hammer, Bjørk; Stensgaard, Ivan; Hornekær, Liv.

    In: The Journal of Physical Chemistry Letters, Vol. 4, No. 21, 07.11.2013, p. 3770-3774.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  69. Published

    Adsorption and dehydrogenation of tetrahydroxybenzene on Cu(111). / Bebensee, Fabian; Svane, K.; Bombis, Christian; Masini, Federico; Klyatskaya, S.; Besenbacher, F.; Ruben, M.; Hammer, B.; Linderoth, T.

    In: Chemical Communications, Vol. 49, No. 81, 18.10.2013, p. 9308-9310.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  70. Published

    CO intercalation of graphene on Ir(111) in the millibar regime. / Arman, M.A.; Andersen, Mie; Granas, E.; Gerber, T.; Hammer, B.; Schnadt, J.; Andersen, J.N.; Michely, T.; Knudsen, J.

    In: The Journal of Physical Chemistry Part C, Vol. 117, No. 32, 15.08.2013, p. 16438-16447.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  71. Published

    Interaction between coronene and graphite from temperature-programmed desorption and DFT-vdW calculations : Importance of entropic effects and insights into graphite interlayer binding. / Thrower, J.D.; Friis, E.E.; Skov, A.L.; Nilsson, Louis; Andersen, Mie; Ferrighi, L.; Jørgensen, Bjarke; Baouche, S.; Balog, R.; Hammer, B.; Hornekær, L.

    In: The Journal of Physical Chemistry Part C, Vol. 117, No. 26, 03.07.2013, p. 13520-13529.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  72. Published

    Controlling Hydrogenation of Graphene on Ir(111). / Balog, Richard; Andersen, Mie; Jørgensen, Bjarke; Sljivancanin, Zeljko; Hammer, Bjørk; Baraldi, Alessandro; Larciprete, Rosanna; Hofmann, Philip; Hornekær, Liv; Lizzit, Silvano.

    In: A C S Nano, Vol. 7, No. 5, 13.04.2013, p. 3823–3832.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  73. Published

    Role of steps in the dissociative adsorption of water on rutile TiO2 (110). / Kristoffersen, Henrik Høgh; Hansen, Jonas Ørbæk; Martinez, Umberto; Wei, Y.Y.; Matthiesen, Jesper; Streber, Regine; Bechstein, Ralf; Lægsgaard, E.; Besenbacher, F.; Hammer, B.; Wendt, S.

    In: Physical Review Letters, Vol. 110, No. 14, 146101, 02.04.2013.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  74. Published

    Stereodirection of an α-ketoester at sub-molecular sites on chirally modified Pt(111): Heterogeneous asymmetric catalysis. / Demers-Carpentier, V.; Rasmussen, A.M.H.; Goubert, G.; Ferrighi, Lara; Dong, Y.; Lemay, J.-C.; Masini, F.; Zeng, Y.; Hammer, B.; McBreen, P.H.

    In: Journal of the American Chemical Society, Vol. 135, No. 27, 2013, p. 9999-10002.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  75. 2012
  76. Published

    Reduced step edges on rutile TiO (110) as competing defects to oxygen vacancies on the terraces and reactive sites for ethanol dissociation. / Martinez, U.; Hansen, Jonas Ørbæk; Salazar, Estephania Lira; Kristoffersen, Henrik Høgh; Huo, P.; Bechstein, R.; Lægsgaard, E.; Besenbacher, F.; Hammer, B.; Wendt, S.

    In: Physical Review Letters, Vol. 109, No. 15, 09.10.2012, p. 155501.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  77. Published

    Graphene on metal surfaces and its hydrogen adsorption : A meta-GGA functional study. / Andersen, Mie; Hornekær, L.; Hammer, B.

    In: Physical Review B, Vol. 86, No. 8, 03.08.2012, p. 085405.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  78. Published

    Packing defects into ordered structures : Strands on TiO2. / Bechstein, R.; Kristoffersen, Henrik Høgh; Vilhelmsen, L.B.; Rieboldt, F.; Stausholm-Møller, Jess; Wendt, S.; Hammer, B.; Besenbacher, F.

    In: Physical Review Letters, Vol. 108, No. 23, 07.06.2012, p. 236103.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  79. Published

    EXPERIMENTAL EVIDENCE FOR THE FORMATION OF HIGHLY SUPERHYDROGENATED POLYCYCLIC AROMATIC HYDROCARBONS THROUGH H ATOM ADDITION AND THEIR CATALYTIC ROLE IN H2 FORMATION. / Thrower, John; Jørgensen, Bjarke; Friis, Emil Enderup; Baouche, Saoud; Luntz, Alan C.; Andersen, Mie; Hammer, Bjørk; Hornekær, Liv.

    In: Astrophysical Journal, Vol. 752, No. 3, 18.05.2012, p. 752:3.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  80. Published

    Adsorption, mobility, and dimerization of benzaldehyde on Pt(111). / Rasmussen, Anton Michael Havelund; Hammer, Bjørk.

    In: Journal of Chemical Physics, Vol. 136, No. 17, 04.05.2012, p. 174706.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  81. Published

    Systematic Study of Au6 to Au12 Gold Clusters on MgO(100) F Centers Using Density-Functional Theory. / Vilhelmsen, Lasse; Hammer, Bjørk.

    In: Physical Review Letters, Vol. 108, No. 12, 19.03.2012, p. 126101.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  82. Published

    Study of Alkylthiolate Self-assembled Monolayers on Au(111) Using a Semilocal meta-GGA Density Functional. / Ferrighi, Lara; Pan, Yun-xiang; Grönbeck, Henrik; Hammer, Bjørk.

    In: The Journal of Physical Chemistry Part C, Vol. 116, No. 13, 06.03.2012, p. 7374–7379.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  83. Published

    Ethanol Diffusion on Rutile TiO2(110) Mediated by H Adatoms. / Huo, Peipei; Hansen, Jonas Ørbæk; Martinez, Umberto; Salazar, Estephania Lira; Streber, Regine; Wei, Yinying; Lægsgaard, Erik; Hammer, Bjørk; Wendt, Stefan; Besenbacher, Flemming.

    In: The Journal of Physical Chemistry Letters, Vol. 3, No. 3, 07.01.2012, p. 283–288.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  84. Published

    Linear hydrogen adsorbate structures on graphite induced by self-assembled molecular monolayers. / Nilsson, Louis; Sljivancanin, Zeljko; Balog, Richard; Xu, Wei; Linderoth, Trolle René; Lægsgaard, Erik; Stensgaard, Ivan; Hammer, Bjørk; Besenbacher, Flemming; Hornekær, Liv.

    In: Carbon, Vol. 50, No. 5, 05.01.2012, p. 2052–2056.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  85. Published

    Graphene Coatings: Probing the Limits of the One Atom Thick Protection Layer. / Nilsson, Louis; Andersen, Mie; Balog, Richard; Lægsgaard, Erik; Hofmann, Philip; Besenbacher, Flemming; Hammer, Bjørk; Stensgaard, Ivan; Hornekær, Liv.

    In: A C S Nano, Vol. 6, No. 11, 2012, p. 10258–10266.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  86. Published

    Preservation of the Pt(100) surface reconstruction after growth of a continuous layer of graphene. / Nilsson, Louis; Andersen, Mie; Bjerre, Jacob; Balog, Richard; Hammer, Bjørk; Hornekær, Liv; Stensgaard, Ivan.

    In: Surface Science, Vol. 606, No. 3-4, 2012, p. 464–469.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  87. Published

    Scanning Tunneling Microscopy Measurements of the Full Cycle of a Heterogeneous Asymmetric Hydrogenation Reaction on Chirally Modified Pt(111). / Demers-Carpentier, Vincent; Goubert, Guillaume ; Masini, Federico; Dong, Yi; Rasmussen, Anton Michael Havelund; Hammer, Bjørk; McBreen, Peter H. .

    In: The Journal of Physical Chemistry Letters, Vol. 3, No. 92, 2012, p. 92–96.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  88. 2011
  89. Published

    Tuning Aryl−CH···O Intermolecular Interactions on Pt(111). / Demers-Carpentier, Vincent; Laliberte, Marc-André ; Pan, Yunxiang ; Mahieu, Gautier ; Lavoie, Stéphane ; Goubert, Guillaume ; Hammer, Bjørk; McBreen, Peter H. .

    In: Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, Vol. 115, No. 4, 13.12.2011, p. 1355–1360.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  90. Published

    Steps on rutile TiO2(110): Active sites for water and methanol dissociation. / Martinez, Umberto; Vilhelmsen, Lasse; Kristoffersen, Henrik Høgh; Stausholm-Møller, Jess; Hammer, Bjørk.

    In: Physical Review B, Vol. 84, No. 20, 16.11.2011, p. 205434.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  91. Published

    Direct Observation of Molecular Preorganization for Chirality Transfer on a Catalyst Surface. / Demers-Carpentier, Vincent; Goubert, Guillaume ; Masini, Federico ; Lafleur-Lambert, Raphael ; Dong, Yi; Lavoie, Stéphane ; Mahieu, Gautier ; Boukouvalas, John ; Gao, Haili; Rasmussen, Anton Michael Havelund; Ferrighi, Lara; Pan, Yunxiang; Hammer, Bjørk; McBreen, Peter H. .

    In: Science, Vol. 334, No. 6057, 11.11.2011, p. 776-780.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  92. Published

    Self-consistent meta-generalized gradient approximation study of adsorption of aromatic molecules on noble metal surfaces. / Ferrighi, Lara; Madsen, Georg Kent Hellerup; Hammer, Bjørk.

    In: Journal of Chemical Physics, Vol. 135, No. 8, 26.08.2011, p. 084704.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  93. Published

    Adsorption properties versus oxidation states of rutile TiO2(110). / Martinez, Umberto; Hammer, Bjørk.

    In: Journal of Chemical Physics, Vol. 134, No. 19, 18.05.2011, p. 194703.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  94. Published

    Structure and stability of small H clusters on graphene. / Sljivancanin, Zeljko; Andersen, Mie; Hammer, Bjørk.

    In: Physical Review B, Vol. 83, No. 20, 15.05.2011.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  95. Published

    Pyrene: Hydrogenation, hydrogen evolution, and π-band model. / Rasmussen, Jakob Arendt; Henkelman, Graeme ; Hammer, Bjørk.

    In: Journal of Chemical Physics, Vol. 134, 29.04.2011, p. 164703.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  96. Published

    Direct Evidence for Ethanol Dissociation on Rutile TiO2 (110). / Hansen, Jonas Ørbæk; Huo, Peipei; Martinez, Umberto; Salazar, Estephania Lira; Wei, Yinying; Streber, Regine; Lægsgaard, Erik; Hammer, Bjørk; Wendt, Stefan; Besenbacher, Flemming.

    In: Physical Review Letters, Vol. 107, 2011, p. 136102-4.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  97. 2010
  98. Published

    Tuning Aryl−CH···O Intermolecular Interactions on Pt(111). / Demers-Carpentier, Vincent; Laliberte, Marc-André; Pan, Yunxiang; Mahieu, Gautier ; Lavoie, Stéphane; Goubert, Guillaume ; Hammer, Bjørk; McBreen, Peter H. .

    In: Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, Vol. 115, No. 4, 13.12.2010, p. 1355–1360.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  99. Published

    Guanine- and Potassium-Based Two-Dimensional Coordination Network Self-Assembled on Au(111). / Xu, Wei; Wang, Jian-guo; Yu, Miao; Lægsgaard, Erik; Stensgaard, Ivan; Linderoth, Trolle René; Hammer, Bjørk; Wang, Chen; Besenbacher, Flemming.

    In: Journal of the American Chemical Society, Vol. 132, No. 45, 17.11.2010, p. 15927-9.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  100. Published

    Enhanced Bonding of Silver Nanoparticles on Oxidized TiO2(110). / Hansen, Jonas Ørbæk; Salazar, Estephania Lira; Galliker, Patrick; Wang, Jianguo; Sprunger, Phillip T.; Li, Zheshen; Lægsgaard, Erik; Wendt, Stefan; Hammer, Bjørk; Besenbacher, Flemming.

    In: Journal of Physical Chemistry C, Vol. 114, No. 40, 14.10.2010, p. 16964-16972.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  101. Published

    Electronic structure calculations with GPAW : a real-space implementation of the projector augmented-wave method. / Enkovaara, J; Rostgaard, Carsten; Mortensen, J J; Chen, J; Dułak, M; Ferrighi, Lara; Gavnholt, Jeppe; Glinsvad, Christian; Haikola, V; Hansen, H A; Kristoffersen, Henrik Høgh; Kuisma, M; Larsen, A H; Lehtovaara, L; Ljungberg, M; Lopez-Acevedo, O; Moses, Poul Georg; Ojanen, J; Olsen, T; Petzold, Vivien Gabriele; Romero, N A; Stausholm-Møller, Jess; Strange, Mikkel; Tritsaris, Georgios; Vanin, Marco; Walter, M; Hammer, Bjørk; Häkkinen, H; Madsen, Georg Kent Hellerup; Nieminen, R M; Nørskov, Jens Kehlet; Puska, M; Rantala, T T; Schiøtz, Jakob; Thygesen, Kristian Sommer; Jacobsen, K W.

    In: Journal of Physics: Condensed Matter, Vol. 22, No. 25, 30.06.2010, p. 253202.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  102. Published

    Water Adsorption on TiO2. / Hammer, Bjørk; Wendt, Stefan; Besenbacher, Flemming.

    In: Topics in Catalysis, Vol. 53, No. 5-6, 05.2010, p. 423-430.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  103. Published

    Alkane dimers interaction : A semi-local MGGA functional study. / Ferrighi, Lara; Madsen, Georg Kent Hellerup; Hammer, Bjørk.

    In: Chemical Physics Letters, Vol. 492, No. 1-3, 2010, p. 183–186.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  104. Published

    Bandgap opening in graphene induced by patterned hydrogen adsorption. / Balog, Richard; Jørgensen, Bjarke; Nilsson, Louis; Andersen, Mie; Rienks, Emile; Bianchi, Marco; Fanetti, Mattia; Lægsgaard, Erik; Baraldi, Alessandro; Lizzit, Silvano; Sljivancanin, Zeljko; Besenbacher, Flemming; Hammer, Bjørk; Pedersen, Thomas G.; Hofmann, Philip; Hornekær, Liv.

    In: Nature Materials, Vol. 9, 2010, p. 315-319.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  105. Published

    CO oxidation on fully oxygen covered Ru(0001) : Role of step edges. / Sljivancanin, Zeljko; Hammer, Bjørk.

    In: Physical Review B, Vol. 81, No. 12, 2010, p. 121413(R).

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  106. Published

    Comment on "Oxygen vacancy origin of the surface band-gap state of TiO2(110)". / Wendt, Stefan; Bechstein, Ralf; Porsgaard, Søren; Salazar, Estephania Lira; Hansen, Jonas Ørbæk; Huo, Peipei; Li, Zheshen; Hammer, Bjørk; Besenbacher, Flemming.

    In: Physical Review Letters, Vol. 104, 2010, p. 259703-1.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperComment/debateResearch

  107. Published

    DFT+U study of defects in bulk rutile TiO2. / Stausholm-Møller, Jess; Kristoffersen, Henrik Høgh; Hinnemann, Berit; Madsen, Georg Kent Hellerup; Hammer, Bjørk.

    In: Journal of Chemical Physics, Vol. 133, No. 14, 2010, p. 144708.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  108. Published

    Dissociative and molecular oxygen chemisorption channels on reduced rutile TiO2(110): A high-resolution STM study. / Lira, Estephania; Hansen, Jonas Ørbæk; Huo, Peipei; Bechstein, Ralf; Galliker, Patrick; Lægsgaard, Erik; Hammer, Bjørk; Wendt, Stefan; Besenbacher, Flemming.

    In: Surface Science, Vol. 604, No. 21-22, 2010, p. 1945-1960.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  109. Published

    Treatment of Layered Structures Using a Semilocal meta-GGA Density Functional. / Madsen, Georg; Ferrighi, Lara; Hammer, Bjørk.

    In: Journal of physical chemistry letters, Vol. 1, No. 2, 2010, p. 515–519.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  110. 2009
  111. Published

    2D-3D Transition for Cationic and Anionic Gold Clusters: A Kinetic Energy Density Functional Study. / Ferrighi, Lara; Hammer, Bjørk; Madsen, Georg.

    In: Journal of the American Chemical Society, Vol. 131, No. 30, 2009, p. 10605–10609.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

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