Publications of Michael Hävecker

Sun, L.; Hermann, K.; Noack, J.; Timpe, O.; Teschner, D.; Hävecker, M.; Trunschke, A.; Schlögl, R.: DFT Studies and Experiments on Biocatalytic Centers: Structure, Vibrations, and Core Excitations of the K[VO(O₂)Hheida] Complex. The Journal of Physical Chemistry C 118 (42), pp. 24611 - 24622 (2014)

Heine, C.; Hävecker, M.; Stotz, E.; Rosowski, F.; Knop-Gericke, A.; Trunschke, A.; Eichelbaum, M.; Schlögl, R.: Ambient-Pressure Soft X-ray Absorption Spectroscopy of a Catalyst Surface in Action: Closing the Pressure Gap in the Selective n-Butane Oxidation over Vanadyl Pyrophosphate. The Journal of Physical Chemistry C 118 (35), pp. 20405 - 20412 (2014)

Klyushin, A.; Rocha, T.; Hävecker, M.; Knop-Gericke, A.; Schlögl, R.: A Near ambient pressure XPS study of Au oxidation. Physical Chemistry Chemical Physics 16 (17), pp. 7881 - 7886 (2014)

Rocha, T.; Hävecker, M.; Knop-Gericke, A.; Schlögl, R.: Promoters in heterogeneous catalysis: the role of Cl on ethylene epoxidation over Ag. Journal of Catalysis 312, pp. 12 - 16 (2014)

Maganas, D.; Roemelt, M.; Weyhermüller , T.; Blume, R.; Hävecker, M.; Knop-Gericke, A.; DeBeer, S.; Schlögl, R.; Neese, F.: L-edge X-ray absorption study of mononuclear vanadium complexes and spectral predictions using a restricted open shell configuration interaction ansatz. Physical Chemistry Chemical Physics 16 (1), pp. 264 - 276 (2014)

Mayr, L.; Lorenz, H.; Armbrüster, M.; Villaseca, S. A.; Luo, Y.; Cardoso, R.; Burkhardt, U.; Zemlyanov, D.; Hävecker, M.; Blume, R. et al.; Knop-Gericke, A.; Klötzer, B.; Penner, S.: The catalytic properties of thin film Pd-rich GaPd₂ in methanol steam reforming. Journal of Catalysis 309, pp. 231 - 240 (2014)

Heine, C.; Hävecker, M.; Sanchez-Sanchez, M.; Trunschke, A.; Schlögl, R.; Eichelbaum, M.: Work Function, Band Bending and Microwave Conductivity Studies on the Selective Alkane Oxidation Catalyst MoVTeNb Oxide (Orthorhombic M1 Phase) under Operation Conditions. The Journal of Physical Chemistry C 117 (51), pp. 26988 - 26997 (2013)

Amakawa, K.; Sun, L.; Guo, C.; Hävecker, M.; Kube, P.; Wachs, I. E.; Lwin, S.; Frenkel, A. I.; Patlolla, A.; Hermann, K. et al.; Schlögl, R.; Trunschke, A.: How Strain Affects the Reactivity of Surface Metal Oxide Catalysts. Angewandte Chemie International Edition 52 (51), pp. 13553 - 13557 (2013)

Amakawa, K.; Sun, L.; Guo, C.; Hävecker, M.; Kube, P.; Wachs, I. E.; Lwin, S.; Frenkel, A. I.; Patlolla, A.; Hermann, K. et al.; Schlögl, R.; Trunschke, A.: Der Einfluss von strukturellen Spannungen auf die Reaktivität von getragenen Metalloxidkatalysatoren. Angewandte Chemie 125 (51), pp. 13796 - 13800 (2013)

Itkis, D. M.; Semenenko, D. A.; Kataev, E. Y.; Belova, A. I.; Neudachina, V. S.; Sirotina, A. P.; Hävecker, M.; Teschner, D.; Knop-Gericke, A.; Dudin, P. et al.; Barinov, A.; Goodilin, E. A.; Shao-Horn, Y.; Yashina, L. V.: Reactivity of carbon in lithium-oxygen battery positive electrodes. Nano Letters 13 (10), pp. 4697 - 4701 (2013)

Eichelbaum, M.; Glaum, R.; Hävecker, M.; Wittich, K.; Heine, C.; Schwarz, H.; Dobner, C.-K.; Welker-Nieuwoudt, C.; Trunschke, A.; Schlögl, R.: Towards Physical Descriptors of Active and Selective Catalysts for the Oxidation of n-Butane to Maleic Anhydride. ChemCatChem: heterogeneous & homogeneous & bio-catalysis 5 (8), pp. 2318 - 2329 (2013)

Zemlyanov, D.; Klötzer, B.; Gabasch, H.; Smeltz, A.; Ribeiro, F. H.; Zafeiratos, S.; Teschner, D.; Schnörch, P.; Vass, E. M.; Hävecker, M. et al.; Knop-Gericke, A.; Schlögl, R.: Kinetics of Palladium Oxidation in the mbar Pressure Range: Ambient Pressure XPS Study. Topics in Catalysis 56 (11), pp. 885 - 895 (2013)

Starr, D. E.; Liu, Z.; Hävecker, M.; Knop-Gericke, A.; Bluhm, H.: Investigation of solid/vapor interfaces using ambient pressure X-ray photoelectron spectroscopy. Chemical Society Reviews 42 (13), pp. 5833 - 5857 (2013)

Papaefthimiou, V.; Shishkin, M.; Niakolas, D. K.; Athanasiou, M.; Law, Y. T.; Arrigo, R.; Teschner, D.; Hävecker, M.; Knop-Gericke, A.; Schlögl, R. et al.; Ziegler, T.; Neophytides, S. G.; Zafeiratos, S.: On the Active Surface State of Nickel-Ceria Solid Oxide Fuel Cell Anodes During Methane Electrooxidation. Advanced Energy Materials 3 (6), pp. 762 - 769 (2013)

Maganas, D.; Roemelt, M.; Hävecker, M.; Trunschke, A.; Knop-Gericke, A.; Schlögl, R.; Neese, F.: First principles calculations of the structure and V L-edge X-ray absorption spectra of V₂O₅ using local pair natural orbital coupled cluster theory and spin-orbit coupled configuration interaction approaches. Physical Chemistry Chemical Physics 15 (19), pp. 7260 - 7276 (2013)

Barbosa, R. L.; Papaefthimiou, V.; Law, Y. T.; Teschner, D.; Hävecker, M.; Knop-Gericke, A.; Zapf, R.; Kolb, G.; Schlögl, R.; Zafeiratos, S.: Methanol Steam Reforming over Indium-Promoted Pt/Al₂O₃ Catalyst: Nature of the Active Surface. The Journal of Physical Chemistry C 117 (12), pp. 6143 - 6150 (2013)

Kreikemeyer-Lorenzo, D.; Unterberger, W.; Blume, R.; Hävecker, M.; Rocha, T.; Knop-Gericke, A.; Schlögl, R.; Lerotholi, T. J.; Duncan, D. A.; Woodruff, D. P.: Quantitative adsorbate structure determination under catalytic reaction conditions. Physical Review B 87 (12), 125420 (2013)

Kaichev, V. V.; Gladky, A. Y.; Prosvirin, I. P.; Saraev, A. A.; Hävecker, M.; Knop-Gericke, A.; Schlögl, R.; Bukhtiyarov, V. I.: In situ XPS study of self-sustained oscillations in catalytic oxidation of propane over nickel. Surface Science 609, pp. 113 - 118 (2013)

Rameshan, C.; Lorenz, H.; Mayr, L.; Penner, S.; Zemlyanov, D.; Arrigo, R.; Hävecker, M.; Blume, R.; Knop-Gericke, A.; Schlögl, R. et al.; Klötzer, B.: CO₂-selective methanol steam reforming on In-doped Pd studied by in situ X-ray photoelectron spectroscopy. Journal of Catalysis 295, pp. 186 - 194 (2012)

Guo, C.; Hermann, K.; Hävecker, M.; Trunschke, A.; Schlögl, R.: Silica-Supported Titania Species: Structural Analysis from Quantum Theory and X-ray Spectroscopy. The Journal of Physical Chemistry C 116 (42), pp. 22449 - 22457 (2012)