Publikationen

  1. P. Quaino, N. Luque, G. Soldano, R. Nazmutdinov, E. Santos, T. Roman, A. Lundin, A. Groß, and W. Schmickler,  Solvated protons in density functional theory - a few examples , Electrochim. Acta (2013), doi:  10.1016/j.electacta.2013.04.084, in press.
    [Preprint, Electrochim. Acta online]
  2. M.D. Arce, P. Quaino, and E. Santos, Electronic changes at the Pt(111) interface induced by the adsorption of OH species, Catal. Today.  202, 120–127 (2013).
    [Catalysis Today online  ]
  3. Tanglaw Roman and  Axel Groß, Periodic density-functional theory calculations on work-function changes induced by adsorption of halogens on Cu(111), Phys. Rev. Lett. 110, 156804 (2013).
    [Preprint, PRL online]
  4. Tanglaw Roman and A. Groß, Structure of water layers on hydrogen-covered Pt electrodes, Catal. Today.  202, 183–190 (2013).
    [Preprint, Catalysis Today online  ]
  5. E. Santos, L.M.C. Pinto, G. Soldano, A.F. Innocente, A.C.D. Ângelo, W. Schmickler, Hydrogen oxidation on ordered intermetallic phases of platinum and tin - a combined experimental and theoretical study, Catal. Today.  202, 191–196 (2013).
    [Catalysis Today online  ]
  6. A.K. Engstfeld, S. Beckord, C.U. Lorenz, and R.J. Behm, Growth of bimetallic PtRu clusters on Ru(0001) supported monolayer graphene films, Chem. Phys. Chem., 13, 3313-3319 (2012)
    [ Opens external link in new windowChemPhysChem online]
  7. L. Mancera, R.J. Behm, and A. Groß, Structure and local reactivity of PdAg/Pd(111) surface alloys, PhysChemChemPhys  15, 1497–1508 (2013).
    [Preprint, PCCP online]
  8. A. Groß, Ab initio molecular dynamics study of H2 adsorption on sulfur- and chlorine-covered Pd(100) , Surf. Sci.  608, 249–254 (2013).
    [Preprint, Surface Science online  ]
  9. P. Quaino, N. B. Luque, R. Nazmutdinov, E. Santos, and W. Schmickler, Why is gold such a good catalyst for oxygen reduction in alkaline media?, Angew. Chem. Int. Ed.  51, 12997–13000 (2012). VIP Paper
    [Angewandte online  ]
  10. S. Sakong, C. Mosch, A. Lozano, H.F. Busnengo, and A. Groß, Lowering reaction barriers in surface reactions through concerted reaction mechanisms, ChemPhysChem 13, 3467–3471 (2012).
    [Preprint, ChemPhysChem online  ]
  11. A.P. Farkas, T. Diemant, J. Bansmann, and R.J. Behm, The adsorption of oxygen and coadsorption of CO and oxygen on structurally well defined PdAg/Pd(111) surface alloys, Chem. Phys. Chem. 13, 3516-3525 (2012)
    [ Opens external link in new windowChemPhysChem online ]
  12. A.K. Engstfeld, S. Beckord, C.U. Lorenz, and R.J. Behm, Growth of bimetallic PtRu clusters on Ru(0001) supported monolayer graphene films,Chem. Phys. Chem.  13, 3313-3319 (2012).
    [ Opens external link in new windowChemPhysChem online ]
  13. Wei Zhao, Z. Jusys, and R.J Behm, Complete Quantitative online Analysis of Methanol Electrooxidation Products via Electron Impact and Electrospray Ionization Mass Spectrometry, Anal. Chem. 84, 5479–5483 (2012)
    [ Opens external link in new windowAnal. Chem. online ]
  14. H. Hartmann, T. Diemant, J. Bansmann, and R.J. Behm, Interaction of CO and deuterium with bimetallic, monolayer Pt island / film covered Ru(0001) surfaces,Phys. Chem. Chem. Phys. 14, 10919-10934 (2012)
    [ Opens external link in new windowPCCP online ]
  15. M. Eyrich, T. Diemant, H. Hartmann, J. Bansmann, and R.J. Behm, Interaction of CO with structurally well defined monolayer PtAu/Pt(111),  J. Phys. Chem. C 116, 11154-11165 (2012)
    [ Opens external link in new windowJPCC online]
  16. E. Santos, P. Quaino, and W. Schmickler, Theory of Electrocatalysis: Hydrogen Evolution and more, PhysChemChemPhys 14, 11224 (2012).
  17. P. Quaino, M.D. Arce, E. Santos, W. Schmickler, A first principles study of the hydrogen reaction in alkaline media: OH effect, Int. J. Hydrogen Energy 37, 14796 (2012).
  18. P. Quaino, E. Santos, H. Wolfschmidt, M.A. Montero, U. Stimming, Theory meets experiment: Electrocatalysis of hydrogen oxidation/evolution at Pd–Au nanostructures , Catal. Today 177, 55-63 (2011).
    [Preprint , Catalysis Today online  ]
  19. E. Santos, P. Hindelang, P. Quaino, and W. Schmickler, A model for the Heyrovsky reaction as the second step in hydrogen evolution, PhysChemChemPhys  13, 6992 (2011).
    [ PCCP online]
  20. G. Soldano, E. Santos and W. Schmickler, Intrinsic stability and hydrogen affinity of pure and bimetallic nanowires,  J. Chem. Phys. 143 (2011) 174106.
  21. W. Schmickler, E.  Santos, P. Quaino, G. Soldano, P.Hindelang, E. Schulz, Hydrogen electrocatalysis on single crystals and on nanostructured electrodes, ChemPhysChem 12, 2274 (2011).
  22. W. Zhao, Z. Jusys, and R.J. Behm, Quantitative on-line Detection of Volatile and Non-volatile Methanol Electrooxidation Products by Combined Electron Impact Mass Spectrometry and Electrospray Ionization Mass Spectrometry, ECS Transaction 35, 9-19 (2011).
    [ ECS Transactions online]