Matthiesen, J.
, Wendt, S., Hansen, J. Ø., Madsen, G. K. H., Salazar, E. L., Galliker, P., Vestergaard, E. K., Schaub, R., Lægsgaard, E.
, Hammer, B. & Besenbacher, F. (2009).
Observation of all the intermediate steps of a chemical reaction on an oxide surface by scanning tunneling microscopy.
A C S Nano,
3, 517-526.
Matthiesen, J., Hansen, J. Ø.
, Wendt, S., Salazar, E. L., Schaub, R., Lægsgaard, E.
, Besenbacher, F. & Hammer, B. (2009).
Formation and diffusion of water dimers on rutile TiO2(110).
Physical Review Letters,
102, 226101.
https://doi.org/10.1103/PhysRevLett.102.226101
Meldgaard, S. A., Köhler, J., Mortensen, H. L.
, Christiansen, M. P. V., Noé, F.
& Hammer, B. (2022).
Generating stable molecules using imitation and reinforcement learning.
Machine Learning: Science and Technology,
3(1), Artikel 015008.
https://doi.org/10.1088/2632-2153/ac3eb4
Merte, L. R., Jorgensen, M. S., Pussi, K., Gustafson, J., Shipilin, M., Schaefer, A., Zhang, C., Rawle, J., Nicklin, C., Thornton, G., Lindsay, R.
, Hammer, B. & Lundgren, E. (2017).
Structure of the SnO2(110)-(4 x 1) Surface.
Physical Review Letters,
119(9), Artikel 096102.
https://doi.org/10.1103/PhysRevLett.119.096102
Merte, L. R., Bisbo, M. K., Sokolović, I., Setvín, M., Hagman, B., Shipilin, M., Schmid, M., Diebold, U., Lundgren, E.
& Hammer, B. (2022).
Structure of an Ultrathin Oxide on Pt3Sn(111) Solved by Machine Learning Enhanced Global Optimization.
Angewandte Chemie - International Edition,
61(25), Artikel e202204244.
https://doi.org/10.1002/anie.202204244
Merte, L. R., Braud, N., Buß, L., Bisbo, M. K., Wallander, H. J., Krisponeit, J. O., Flege, J. I.
, Hammer, B., Falta, J. & Lundgren, E. (2023).
Oxygen Storage by Tin Oxide Monolayers on Pt3Sn(111).
Journal of Physical Chemistry C,
127(6), 2988-2994.
https://doi.org/10.1021/acs.jpcc.2c09041
Morgenstern, K., Rosenfeld, G., Comsa, G., Sørensen, M. R.
, Hammer, B., Lægsgaard, E.
& Besenbacher, F. (2001).
Kinetics of fast island decay revisited.
Physical Review B,
63, 45412.
Mortensen, H. L., Meldgaard, S. A., Bisbo, M. K.
, Christiansen, M.-P. & Hammer, B. (2020).
Atomistic structure learning algorithm with surrogate energy model relaxation.
Physical Review B,
102(7), Artikel 075427.
https://doi.org/10.1103/PhysRevB.102.075427
Nilsson, A., Pettersson, L. G. M.
, Hammer, B., Bligaard, T., Christensen, C. H. & Nørskov, J. K. (2005).
The electronic structure effect in heterogeneous catalysis.
Catalysis Letters,
100, 111.
Nilsson, L.
, Andersen, M., Bjerre, J.
, Balog, R., Hammer, B., Hornekær, L. & Stensgaard, I. (2012).
Preservation of the Pt(100) surface reconstruction after growth of a continuous layer of graphene.
Surface Science,
606(3-4), 464–469.
https://doi.org/10.1016/j.susc.2011.11.007
Nilsson, L., Sljivancanin, Z.
, Balog, R., Xu, W.
, Linderoth, T. R., Lægsgaard, E., Stensgaard, I.
, Hammer, B., Besenbacher, F. & Hornekær, L. (2012).
Linear hydrogen adsorbate structures on graphite induced by self-assembled molecular monolayers.
Carbon,
50(5), 2052–2056.
https://doi.org/10.1016/j.carbon.2011.12.050,
Nilsson, L.
, Andersen, M., Balog, R., Lægsgaard, E.
, Hofmann, P., Besenbacher, F., Hammer, B., Stensgaard, I.
& Hornekær, L. (2012).
Graphene Coatings: Probing the Limits of the One Atom Thick Protection Layer.
A C S Nano,
6(11), 10258–10266.
https://doi.org/10.1021/nn3040588
Nilsson, L.
, Andersen, M., Hammer, B., Stensgaard, I.
& Hornekær, L. (2013).
Breakdown of the Graphene Coating Effect under Sequential Exposure to O2 and H2S.
The Journal of Physical Chemistry Letters,
4(21), 3770-3774.
https://doi.org/10.1021/jz402054e
Ning, Y., Cramer, J. R., Nuermaimaiti, A.
, Svane, K. L., Yu, M., Lægsgaard, E.
, Besenbacher, F., Xue, Q.-K., Ma, X.
, Hammer, B., Gothelf, K. V. & Linderoth, T. R. (2015).
Selection of conformational states in self-assembled surface structures formed from an oligo(naphthylene-ethynylene) 3-bit binary switch.
Journal of Chemical Physics,
142, Artikel 101922.
https://doi.org/10.1063/1.4908062
Norskov, J. K., Bligaard, T., Logadottir, A., Bahn, S., Hansen, L. B., Bollinger, M., Bengaard, H.
, Hammer, B., Sljivancanin, Z., Mavrikakis, M., Xu, Y., Dahl, S. & Jacobsen, C. J. H. (2002).
Universality in Heterogeneous Catalysis.
Journal of Catalysis,
209, 275.
Nuermaimaiti, A., Schultz-Falk, V., Lind Cramer , J.
, Svane, K. L., Hammer, B., Gothelf, K. V. & Linderoth, T. R. (2016).
Selection of conformational states in surface self-assembly for a molecule with eight possible pairs of surface enantiomers.
Chemical Communications,
52(97), 14023-14026.
https://doi.org/10.1039/C6CC06876F
Nuermaimaiti, A., Ning, Y., Cramer, J. L.
, Svane, K. L., Hammer, B., Gothelf, K. V. & Linderoth, T. R. (2017).
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.
Langmuir,
33(41), 10782-10791.
https://doi.org/10.1021/acs.langmuir.7b02207
Otero, R., Schöck, M., Molina, L. M., Lægsgaard, E., Stensgaard, I.
, Hammer, B. & Besenbacher, F. (2005).
Guanine Quartet Networks stabilized by cooperative hydrogen bonds.
Angewandt Chemie International Edition, (44), 2270-2275.
Penner, R.
, Andersen, E. S., Jensen, J. L., Kantcheva, A. K., Bublitz, M.
, Nissen, P., Rasmussen, A. M. H., Svane, K. L., Hammer, B., Rezazadegan, R.
, Nielsen, N. C., Nielsen, J. T. & Andersen, J. E. (2014).
Hydrogen bond rotations as a uniform structural tool for analyzing protein architecture.
Nature Communications,
5, Artikel 5803.
https://doi.org/10.1038/ncomms6803
Reichenbach, T., Walter, M., Moseler, M.
, Hammer, B. & Bruix, A. (2019).
Effects of Gas-Phase Conditions and Particle Size on the Properties of Cu(111)-Supported ZnyOxParticles Revealed by Global Optimization and Ab Initio Thermodynamics.
Journal of Physical Chemistry C,
123(51), 30903-30916.
https://doi.org/10.1021/acs.jpcc.9b07715
Rieboldt, F., Vilhelmsen, L. B., Hansen, S. K.
, Lauritsen, J. V., Helveg, S.
, Lammich, L., Besenbacher, F., Hammer, B. & Wendt, S. (2014).
Nucleation and growth of Pt nanoparticles on reduced and oxidized rutile TiO2 (110).
Journal of Chemical Physics,
141(21), Artikel 214702.
https://doi.org/10.1063/1.4902249
Rønne, N., Christiansen, M. P. V., Slavensky, A. M., Tang, Z., Brix, F., Pedersen, M. E., Bisbo, M. K.
& Hammer, B. (2022).
Atomistic structure search using local surrogate model.
The Journal of Chemical Physics,
157(17), 174115. Artikel 174115.
https://doi.org/10.1063/5.0121748
Sanders, C. E., Dendzik, M., Ngankeu, A. S., Eich, A., Bruix, A.
, Bianchi, M., Miwa, J. A., Hammer, B., Khajetoorians, A. A.
& Hofmann, P. (2016).
Crystalline and electronic structure of single-layer TaS2.
Physical Review B,
94(8), Artikel 081404.
https://doi.org/10.1103/PhysRevB.94.081404
Schnadt, J., Rauls, E., Xu, W., Vang, R. T., Knudsen, J., Lægsgaard, E.
, Li, Z., Hammer, B. & Besenbacher, F. (2008).
Extended one-dimensional supramolecular assembly on a stepped surface.
Physical Review Letters,
100, 046103.
https://doi.org/10.1103/PhysRevLett.100.046103
Skov, A. W.
, Andersen, M., Thrower, J. D., Jorgensen, B.
, Hammer, B. & Hornekaer, L. (2016).
The influence of coronene super-hydrogenation on the coronene-graphite interaction.
Journal of Chemical Physics,
145(17), Artikel 174708.
https://doi.org/10.1063/1.4966259
Sljivancanin, Z., Rauls, E.
, Hornekær, L., Xu, W.
, Besenbacher, F. & Hammer, B. (2009).
Extended atomic hydrogen dimer configurations on the graphite (0001) surface.
Journal of Chemical Physics,
131, 084706.
Stausholm-Møller, J., Kristoffersen, H. H., Hinnemann, B., Madsen, G. K. H.
& Hammer, B. (2010).
DFT+U study of defects in bulk rutile TiO2.
Journal of Chemical Physics,
133(14), 144708.
https://doi.org/10.1063/1.3492449