Publications by the Fritz Haber Institute (2001-)

Journal Article (5430)

  1. 2020
    Journal Article
    Anke, S., T. Falk, G. Bendt, I. Sinev, M. Hävecker, H. Antoni, I. Zegkinoglou, H. Jeon, A. Knop-Gericke, R. Schlögl, B. Roldan Cuenya, S. Schulz and M. Muhler: On the reversible deactivation of cobalt ferrite spinel nanoparticles applied in selective 2-propanol oxidation. Journal of Catalysis 382, 57–68 (2020).
  2. Journal Article
    Chen, D., B. Mewafya, F. Paloukis, L. Zhong, V. Papaefthimiou, T. Dintzer, K.M. Papazisi, S.P. Balomenou, D. Tsiplakides, D. Teschner, V. Pérez-Dieste, C. Escudero and S. Zafeiratos: Revising the role of chromium on the surface of perovskite electrodes: Poison or promoter for the solid oxide electrolysis cell performance? Journal of Catalysis 381, 520–529 (2020).
  3. Journal Article
    Ding, Y., Q. Gu, A. Klyushin, X. Huang, S.H. Choudhury, I. Spanos, F. Song, R. Mom, P. Düngen, A.K. Mechler, R. Schlögl and S. Heumann: Dynamic carbon surface chemistry: Revealing the role of carbon in electrolytic water oxidation. Journal of Energy Chemistry 47, 155–159 (2020).
  4. Journal Article
    Friedrich, B.: X-ray spectroscopy, the structure of the atom, the periodic system -- and the Czech physicist Vaclav Dolejsek (1895-1945). Vesmir 99 (1), 39–41 (2020).
  5. Journal Article
    Litman, Y., J. Behler and M. Rossi: Temperature dependence of the vibrational spectrum of porphycene: a qualitative failure of classical-nuclei molecular dynamics. Faraday Discussions 221, 526–546 (2020).
  6. 2019
    Journal Article
    Abdel-Mageed, A.M., A. Klyushin, A. Knop-Gericke, R. Schlögl and R.J. Behm: Influence of CO on the Activation, O-Vacancy Formation, and Performance of Au/ZnO Catalysts in CO2 Hydrogenation to Methanol. The Journal of Physical Chemistry Letters 10 (13), 3645–3653 (2019).
  7. Journal Article
    Abdel-Mageed, A.M., A. Klyushin, A. Rezvani, A. Knop-Gericke, R. Schlögl and R.J. Behm: Ladungszustand von Au‐Nanopartikeln während der Methanolsynthese aus CO2/H2 an Au/ZnO‐Katalysatoren: Einsichten aus Operando IR‐Spektroskopie und In‐situ XPS‐ und XAS‐Messungen. Angewandte Chemie 131 (30), 10431–10436 (2019).
  8. Journal Article
    Abdel-Mageed, A.M., A. Klyushin, A. Rezvani, A. Knop-Gericke, R. Schlögl and R.J. Behm: Negative Charging of Au Nanoparticles during Methanol Synthesis from CO/H on a Au/ZnO Catalyst: Insights from Operando Infrared and Near‐ambient Pressure XPS and XAS. Angewandte Chemie International Edition 58 (30), 10325–10329 (2019).
  9. Journal Article
    Abdulhussein, H.A., P. Ferrari, J. Vanbuel, C. Heard, A. Fielicke, P. Lievens, E. Janssens and R.L. Johnston: Altering CO binding on gold cluster cations by Pd-doping. Nanoscale 11 (34), 16130–16141 (2019).
  10. Journal Article
    Ahmadi, M., J. Timoshenko, F. Behafarid and B. Roldan Cuenya: Tuning the Structure of Pt Nanoparticles Through Support Interactions: An In Situ Polarized X-ray Absorption Study Coupled with Atomistic Simulations. The Journal of Physical Chemistry C 123 (16), 10666–10676 (2019).
  11. Journal Article
    Alberi, K., M.B. Nardelli, A. Zakutayev, L. Mitas, S. Curtarolo, A. Jain, M. Fornari, N. Marzari, I. Takeuchi, M.L. Green, M. Kanatzidis, M.F. Toney, S. Butenko, B. Meredig, S. Lany, U.R. Kattner, A. Davydov, E.S. Toberer, V. Stevanovic, A. Walsh, N.-G. Park, A. Aspuru-Guzik, D.P. Tabor, J. Nelson, J. Murphy, A. Setlur, J. Gregoire, H. Li, R. Xiao, A. Ludwig, L.W. Martin, A.M. Rappe, S.-H. Wei and J. Perkins: The 2019 materials by design roadmap. Journal of Physics D: Applied Physics 52 (1), 013001 (2019).
  12. Journal Article
    Alekhin, A., I. Razdolski, M. Berritta, D. Bürstel, V. Temnov, D. Diesing, U. Bovensiepen, G. Woltersdorf, P.M. Oppeneer and A. Melnikov: Magneto-optical properties of Au upon the injection of hot spin-polarized electrons across Fe/Au(0 0 1) interfaces. Journal of Physics: Condensed Matter 31 (12), 124002 (2019).
  13. Journal Article
    Ali, H., R. Seidel, A. Bergmann and B. Winter: Cover: Electronic structure of aqueous-phase anatase titanium dioxide nanoparticles probed by liquid jet photoelectron spectroscopy. Journal of Materials Chemistry A 7 (12), 6575–6575 (2019).
  14. Journal Article
    Ali, H., R. Golnak, R. Seidel, B. Winter and J. Xiao: In-Situ X-Ray Spectroscopy of the Electric Double Layer around TiO2 Nanoparticles Dispersed in Aqueous Solution: Implications for H2 Generation. ACS Applied Nano Materials, in press.
  15. Journal Article
    Ali, H., R. Seidel, A. Bergmann and B. Winter: Electronic structure of aqueous-phase anatase titanium dioxide nanoparticles probed by liquid jet photoelectron spectroscopy. Journal of Materials Chemistry A 7 (12), 6665–6675 (2019).
  16. Journal Article
    Alvarez-Galvan, C., M. Melian, L. Ruiz-Matas, J.L. Eslava, R.M. Navarro, M. Ahmadi, B. Roldan Cuenya and J.L.G. Fierro: Partial Oxidation of Methane to Syngas Over Nickel-Based Catalysts: Influence of Support Type, Addition of Rhodium, and Preparation Method. Frontiers in Chemistry 7, 104 (2019).
  17. Journal Article
    Alvermann, A., A. Basermann, H.-J. Bungartz, C. Carbogno, D. Ernst, H. Fehske, Y. Futamura, M. Galgon, G. Hager, S. Huber, T. Huckle, A. Ida, A. Imakura, M. Kawai, S. Köcher, M. Kreutzer, P. Kus, B. Lang, H. Lederer, V. Manin, A. Marek, K. Nakajima, L. Nemec, K. Reuter, M. Rippl, M. Röhrig-Zöllner, T. Sakurai, M. Scheffler, C. Scheurer, F. Shahzad, D. Simoes Brambila, J. Thies and G. Wellein: Benefits from using mixed precision computations in the ELPA-AEO and ESSEX-II eigensolver projects. Japan Journal of Industrial and Applied Mathematics 36 (2), 699–717 (2019).
  18. Journal Article
    Amakawa, K., Y. Wang, J. Kröhnert, R. Schlögl and A. Trunschke: Acid sites on silica-supported molybdenum oxides probed by ammonia adsorption: Experiment and theory. Molecular Catalysis 478, 110580 (2019).
  19. Journal Article
    Andersen, M., S.V. Levchenko, M. Scheffler and K. Reuter: Beyond Scaling Relations for the Description of Catalytic Materials. ACS Catalysis 9 (4), 2752–2759 (2019).
  20. Journal Article
    Anke, S., G. Bendt, I. Sinev, H.R. Hajiyani, H. Antoni, I. Zegkinoglou, H. Jeon, R. Pentcheva, B. Roldan Cuenya, S. Schulz and M. Muhler: Selective 2-Propanol Oxidation over Unsupported Co3O4 Spinel Nanoparticles: Mechanistic Insights into Aerobic Oxidation of Alcohols. ACS Catalysis 9 (7), 5974–5985 (2019).
  21. Journal Article
    Attia, S., E.J. Spadafora, J. Hartmann, H.-J. Freund and S. Schauermann: Molecular beam/infrared reflection-absorption spectroscopy apparatus for probing heterogeneously catalyzed reactions on functionalized and nanostructured model surfaces. Review of Scientific Instruments 90 (5), 053903 (2019).
  22. Journal Article
    Bagger, A., R. Aran Ais, J.H. Stenlid, E.C.dos Santos, L. Arnarson, K.D. Jensen, M. Escudero-Escribano, B. Roldan Cuenya and J. Rossmeisl: Ab Initio Cyclic Voltammetry on Cu(111), Cu(100) and Cu(110) in Acidic, Neutral and Alkaline Solutions. ChemPhysChem, in press.
  23. Journal Article
    Bagus, P.S., C.J. Nelin, S.V. Levchenko, X. Zhao, E. Davis, H. Kuhlenbeck and H.-J. Freund: Surface core level BE shifts for CaO(100): insights into physical origins. Physical Chemistry Chemical Physics 21 (45), 25431–25438 (2019).
  24. Journal Article
    Bagus, P.S., C.J. Nelin, X. Zhao, S.V. Levchenko, E. Davis, X. Weng, F. Späth, C. Papp, H. Kuhlenbeck and H.-J. Freund: Revisiting surface core-level shifts for ionic compounds. Physical Review B 100 (11), 115419 (2019).
  25. Journal Article
    Barroo, C., Z.-J. Wang, R. Schlögl and M.G. Willinger: Imaging the dynamics of catalysed surface reactions by in situ scanning electron microscopy. Nature Catalysis, in press.
  26. Journal Article
    Barroo, C., Z.-J. Wang and M.G. Willinger: Pattern Formation in Catalyzed Surface Reactions Studied by In Situ SEM. Microscopy and Microanalysis 25 (S1), 39–40 (2019).
  27. Journal Article
    Barroo, C., Z.-J. Wang and M.G. Willinger: Imaging Reaction Dynamics on Inverse Model Catalyst Surfaces by In Situ Environmental SEM. Microscopy and Microanalysis 25 (S2), 510–511 (2019).
  28. Journal Article
    Bartel, C.J., C.A. Sutton, B.R. Goldsmith, R. Ouyang, C.B. Musgrave, L.M. Ghiringhelli and M. Scheffler: New tolerance factor to predict the stability of perovskite oxides and halides. Science Advances 5 (2), eaav0693 (2019).
  29. Journal Article
    Belviso, F., V.E.P. Claerbout, A. Comas-Vives, N.S. Dalal, F.-R. Fan, A. Filippetti, V. Fiorentini, L. Foppa, C. Franchini, B. Geisler, L.M. Ghiringhelli, A. Groß, S. Hu, J. Íñiguez, S.K. Kauwe, J.L. Musfeldt, P. Nicolini, R. Pentcheva, T. Polcar, W. Ren, F. Ricci, F. Ricci, H.S. Sen, J.M. Skelton, T.D. Sparks, A. Stroppa, A. Urru, M. Vandichel, P. Vavassori, H. Wu, K. Yang, H.J. Zhao, D. Puggioni, R. Cortese and A. Cammarata: Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications. Inorganic Chemistry 58 (22), 14939–14980 (2019).
  30. Journal Article
    Bergmann, A. and B. Roldan Cuenya: Operando Insights into Nanoparticle Transformations during Catalysis. ACS Catalysis 9, 10020–10043 (2019).
  31. Journal Article
    Bikaljevic, D., R. Rameshan, N. Köpfle, T. Götsch, E. Mühlegger, R. Schlögl, S. Penner, N. Memmel and B. Klötzer: Structural and kinetic aspects of CO oxidation on ZnOx-modified Cu surfaces. Applied Catalysis A 572, 151–157 (2019).
  32. Journal Article
    Bloch, E., S. Beaulieu, D. Descamps, S. Petit, F. Légaré, A. Magunov, Y. Mairesse and V. Strelkov: Hyper-Raman lines emission concomitant with high-order harmonic generation. New Journal of Physics 21 (7), 073006 (2019).
  33. Journal Article
    Böckmann, H., M. Müller, A. Hammud, M.G. Willinger, M. Pszona, J. Waluk, M. Wolf and T. Kumagai: Near-Field Spectral Response of Optically Excited Scanning Tunneling Microscope Junctions Probed by Single-Molecule Action Spectroscopy. The Journal of Physical Chemistry Letters 10, 2068–2074 (2019).
  34. Journal Article
    Böckmann, H., S. Liu, M. Müller, A. Hammud, M. Wolf and T. Kumagai: Near-Field Manipulation in a Scanning Tunneling Microscope Junction with Plasmonic Fabry-Pérot Tips. Nano Letters 19 (6), 3597–3602 (2019).
  35. Journal Article
    Bojer, C., K. Ament, H. Schmalz, J. Breu and T. Lunkenbein: Electrostatic attraction of nanoobjects – a versatile strategy towards mesostructured transition metal compounds. CrystEngComm 21 (33), 4840–4850 (2019).
  36. Journal Article
    Bondarchuk, O., S.K. Shaikhutdinov and H.-J. Freund: Interaction of Gold with Oxide Nanoparticles: Size or Electronic Effect? The Journal of Physical Chemistry C 123 (19), 12376–12381 (2019).
  37. Journal Article
    Buechner, C., S.M. Gericke, L. Trotochaud, O. Karslıoǧlu, J. Raso and H. Bluhm: Quantitative Characterization of a Desalination Membrane Model System by X‑ray Photoelectron Spectroscopy. Langmuir 35 (35), 11315–11321 (2019).
  38. Journal Article
    Buttersack, T., P.E. Mason, R.S. McMullen, T. Martinek, K. Brezina, D. Hein, H. Ali, C. Kolbeck, H.C. Schewe, S. Malerz, B. Winter, R. Seidel, O. Marsalek, P. Jungwirth and S.E. Bradforth.: Valence and Core-Level X-ray Photoelectron Spectroscopy of a Liquid Ammonia Microjet. Journal of the American Chemical Society 141 (5), 1838–1841 (2019).
  39. Journal Article
    Calaza, F.C., M.A. Baltanás, M. Sterrer and H.-J. Freund: Adsorption and Decomposition of Glycerol on Pristine and Oxygen Modified Au(111) Surfaces. Topics in Catalysis 62 (12-16), 1053–1066 (2019).
  40. Journal Article
    Chmiela, S., H.E. Sauceda, I. Poltavsky, K.-R. Müller and A. Tkatchenko: sGDML: Constructing accurate and data efficient molecular force fields using machine learning. Computer Physics Communications 240, 38–45 (2019).
  41. Journal Article
    Choi, Y.-W., F. Scholten, I. Sinev and B. Roldan Cuenya: Enhanced Stability and CO/Formate Selectivity of Plasma-Treated SnOx/AgOx Catalysts during CO2 Electroreduction. Journal of the American Chemical Society 141 (13), 5261–5266 (2019).
  42. Journal Article
    Christiansen, D., M. Selig, E. Malic, R. Ernstorfer and A. Knorr: Theory of exciton dynamics in time-resolved ARPES: Intra- and intervalley scattering in two-dimensional semiconductors. Physical Review B 100 (20), 205401 (2019).
  43. Journal Article
    Davis, E., G. Berti, H. Kuhlenbeck, V. Vonk, A. Stierle and H.-J. Freund: Growth of well-ordered iron sulfide thin films. Physical Chemistry Chemical Physics 21 (36), 20204–20210 (2019).
  44. Journal Article
    Debnath, S., X. Song, M.R. Fagiani, M.L. Weichman, M. Gao, S. Maeda, T. Taketsugu, W. Schöllkopf, A. Lyalin, D.M. Neumark and K.R. Asmis: CO2 Adsorption on Ti3O6-: A Novel Carbonate Binding Motif. The Journal of Physical Chemistry C 123 (13), 8439–8446 (2019).
  45. Journal Article
    Dilla, M., A. Jakubowski, S. Ristig, J. Strunk and R. Schlögl: The fate of O2 in photocatalytic CO2 reduction on TiO2 under conditions of highest purity. Physical Chemistry Chemical Physics 21 (29), 15949–15957 (2019).
  46. Journal Article
    Dilla, M., A.E. Becerikli, A. Jakubowski, R. Schlögl and S. Ristig: Development of a tubular continuous flow reactor for the investigation of improved gas–solid interaction in photocatalytic CO2 reduction on TiO2. Photochemical & Photobiological Sciences 18 (2), 314–318 (2019).
  47. Journal Article
    Dilla, M., N.G. Moustakas, A.E. Becerikli, T. Peppel, A. Springer, R. Schlögl, J. Strunk and S. Ristig: Judging the feasibility of TiO2 as photocatalyst for chemical energy conversion by quantitative reactivity determinants. Physical Chemistry Chemical Physics 21 (24), 13144–13150 (2019).
  48. Journal Article
    Dornes, C., Y. Acremann, M. Savoini, M. Kubli, M.J. Neugebauer, E. Abreu, L. Huber, G. Lantz, C.A.F. Vaz, H. Lemke, E.M. Bothschafter, M. Porer, V. Esposito, L. Rettig, M. Buzzi, A. Alberca, Y.W. Windsor, P. Beaud, U. Staub, D. Zhu, S. Song, J.M. Glownia and S.L. Johnson: The ultrafast Einstein–de Haas effect. Nature 565 (7738), 209–222 (2019).
  49. Journal Article
    Draxl, C. and M. Scheffler: The NOMAD Laboratory: From Data Sharing to Artificial Intelligence. JPhys Materials 2 (3), 036001 (2019).
  50. Journal Article
    Draxl, C.: Artificial intelligence in materials science - hype or revolution? SPG Mitteilungen 59, 23–23 (2019).
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