Publications of Michael Hävecker

Sun, L., K. Hermann, J. Noack, O. Timpe, D. Teschner, M. Hävecker, A. Trunschke and R. Schlögl: 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), 24611–24622 (2014).

Heine, C., M. Hävecker, E. Stotz, F. Rosowski, A. Knop-Gericke, A. Trunschke, M. Eichelbaum and R. Schlögl: 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), 20405–20412 (2014).

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

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

Maganas, D., M. Roemelt, T. Weyhermüller , R. Blume, M. Hävecker, A. Knop-Gericke, S. DeBeer, R. Schlögl and F. Neese: 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), 264–276 (2014).

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

Heine, C., M. Hävecker, M. Sanchez-Sanchez, A. Trunschke, R. Schlögl and M. Eichelbaum: 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), 26988–26997 (2013).

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

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

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

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

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

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

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

Maganas, D., M. Roemelt, M. Hävecker, A. Trunschke, A. Knop-Gericke, R. Schlögl and F. Neese: 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), 7260–7276 (2013).

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

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

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

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

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