SFB 558
Publikationen
Publications


( 2000 )  ( 2001 )  ( 2002 )  ( 2003 )  ( 2004 ) ( 2005 ) ( 2006 ) ( 2007 ) (2008) (2009) (2010) (2011) (2012)

[ 2012 ]  [ TOP ]

Solvation of Au+ versus Au0 in aqueous solution: electronic structure governs solvation shell patterns
Matteo Farnesi Camellone and Dominik Marx
Phys. Chem. Chem. Phys. 14 (2012) 937–944

High-dimensional neural network potentials for metal surfaces: A prototype study for copper
Nongnuch Artrith and Jörg Behler
PHYS. REV. B 85 (2012) 045439

Prediction of vibrational frequencies of possible intermediates and side products of the methanol synthesis on ZnO(000View the MathML source) by ab inito calculations
Jörg Koßmann, Guido Roßmüller, Christof Hättig
J. Chem. Phys. 136 (2012) 034706

Thermal behavior of MOCVD-grown Cu-clusters on ZnO(10View the MathML source0)
Martin Kroll, Thomas Löber, Vadim Schott, Christof Wöll and Ulrich Köhler
Phys. Chem. Chem. Phys., 2012, 14, 1654–1659

[ 2011 ]  [ TOP ]

Ideal, defective, and gold-promoted rutile TiO2(110) surfaces interacting with CO, H2, and H2O:
Structures, energies, thermodynamics, and dynamics from PBE+U

Matteo Farnesi Camellone, Piotr M. Kowalski and Dominik Marx
PHYS. REV. B 84 (2011) 035413

High-dimensional neural-network potentials for multicomponent systems: Applications to zinc oxide
Nongnuch Artrith, Tobias Morawietz, and Jörg Behler
PHYS. REV. B 83 (2011) 153101

The interaction of carbon monoxide with clean and surface-modified zinc oxide nanoparticles: A UHV-FTIRS study
Heshmat Noei, Christof W öll, Martin Muhler, Yuemin Wang
Applied Catalysis A: General 391 (2011) 31 –35

Partial oxidation of methane on Pt-supported lanthanide doped ceria–zirconia oxides:
Effect of the surface/lattice oxygen mobility on catalytic performance

Vladislav A. Sadykov, Nathalia N. Sazonova, Aleksei S. Bobin, Vitalii S. Muzykantov, Elena L. Gubanova, Galina M. Alikina,
Anton I. Lukashevich, Vladimir A. Rogov, Eugenia N. Ermakova, Ekaterina M. Sadovskaya, Nathalia V. Mezentseva, Ekaterina G. Zevak,
Sergei A. Veniaminov, Martin Muhler, Claude Mirodatos, Yves Schuurman, Andre C. van Veen
Catalysis Today 169 (2011) 125 –137

The Impact of Water on CO Oxidation with Au/TiO2 Catalysts: Poison or Promotor? A Study with an Au–TiO2/MCM-48 Model Catalyst
Andrea De Toni, Hermann Gies, Wolfgang Grünert
Catal Lett (2011) 141:1282 –1287

Activation of Carbon Dioxide on ZnO Nanoparticles Studied by Vibrational Spectroscopy
Heshmat Noei, Christof Wöll, Martin Muhler and Yuemin Wang
J. Phys. Chem. C 2011, 115, 908 –914

Combined Theoretical and Experimental Study on the Adsorption of Methanol on the ZnO(10View the MathML source0) Surface
J. Kiss, D. Langenberg, D. Silber, F. Traeger, L. Jin, H. Qiu, Y. Wang, B. Meyer, Ch. Wöll
J. Phys. Chem. A 115 (2011) 7180

Shallow Donor States Induced by In-Diffused Cu in ZnO: A Combined HREELS and Hybrid DFT Study
Hengshan Qiu, Federico Gallino, Cristiana Di Valentin and Yuemin Wang
Phys.Rev.Lett. 106 (2011) 066401

ZnO@ZIF-8: stabilization of quantum confined ZnO nanoparticles by a zinc methylimidazolate framework and their surface structural
characterization probed by CO2 adsorption

Daniel Esken, Heshmat Noei, Yuemin Wang, Christian Wiktor, Stuart Turner, Gustaaf Van Tendeloo and Roland A. Fischer
J. Mater. Chem. 21 (2011) 5907

A theoretical study of the XP and NEXAFS spectra of alanine: gas phase molecule, crystal, and adsorbate at the ZnO(10View the MathML source0) surface
You Kun Gao, Franziska Traeger, Konstantinos Kotsisw and Volker Staemmler
PhysChemChemPhys 13 (2011) 10709-10718

Photocatalytic Activity of Bulk TiO2 Anatase and Rutile Single Crystals Using Infrared Absorption Spectroscopy
Mingchun Xu, Youkun Gao, Elias Martinez Moreno, Marinus Kunst, Martin Muhler, Yuemin Wang, Hicham Idriss and Christof Wöll
Phys.Rev.Lett. 106 (2011) 138302

High-Pressure CO Adsorption on Cu-Based Catalysts: Zn-Induced Formation of Strongly Bound CO Monitored by ATR-IR Spectroscopy
Zhimin Liu, André Rittermeier, Michael Becker, Kevin Kähler, Elke Löffler and Martin Muhler
Langmuir, 27 (2011) 4728-4733

CO oxidation with Au/TiO2 aggregates encapsulated in the mesopoes of MCM-48: Model studies on activation,
deactivation and metal–support interaction

Maurits W.E. van den Berga, Andrea De Tonia, Mahuya Bandyopadhyay, Hermann Gies, Wolfgang Grünert
Applied Catalysis A: General 391 (2011) 268–280

Au@MOF-5 and Au/MOx@MOF-5 (M = Zn, Ti; x = 1, 2): Preparation and Microstructural Characterisation
Maike M üller, Stuart Turner, Oleg I. Lebedev, Yuemin Wang, Gustaaf van Tendeloo, and Roland A. Fischer
Eur. J. Inorg. Chem. 2011, 1876 –1887

Use of confocal fluorescence microscopy to compare different methods of modifying metal–organic framework (MOF) crystals with dyes
Mingyan Ma, Annika Gross, Denise Zacher, Antonio Pinto, Heshmat Noei, Yuemin Wang, Roland A. Fischer and Nils Metzler-Nolte
CrystEngComm, 13 (2011) 2828-2832

Methanol synthesis on ZnO(0001). III. Free energy landscapes, reaction pathways, and mechanistic insights
Janos Kiss, Johannes Frenzel, Nisanth N. Nair, Bernd Meyer, Dominik Marx
J. Chem. Phys. 134 (2011) 064710

CO oxidation with Au/TiO2 aggregates encapsulated in the mesopores of MCM-48: Model studies on activation, deactivation and metal-support interaction
M. W. E. van den Berg, A. de Toni, M. Bandyopadhyay, H. Gies, W. Grünert
Applied Catalysis A: General 391 (2011) 268-280


[ 2010 ]  [ TOP ]

Hydrogen Loading of Oxide Powder Particles: A Transmission IR Study for the Case of Zinc Oxide
Heshmat Noei, Hengshan Qiu, Yuemin Wang, Martin Muhler and Christof Wöll
ChemPhysChem 11, (2010) 3604-3607


Charge Localization Dynamics Induced by Oxygen Vacancies on the TiO2 (110) Surface
Piotr M. Kowalski, Matteo Farnesi Camellone, Nisanth N. Nair, Bernd Meyer, Dominik Marx
Phys. Rev. Lett. 105 (2010) 146405


Comment on “Imaging of the Hydrogen Subsurface Site in Rutile TiO2
M. Calatayud, X.-L. Yin, H. Qiu, Y. Wang, A. Birkner, C. Minot, Ch. Wöll
Phys. Rev. Lett. 104 (2010) 119603

Stabilizer-Free Metal Nanoparticles and Metal–Metal Oxide Nanocomposites with Long-Term Stability Prepared by Physical Vapor Deposition into Ionic Liquids
K. Richter, A. Birkner, A.-V. Mudring
Angew. Chem. Int. Ed. 49 (2010) 2431-2435


Sonochemical preparation of TiO2 nanoparticles in the ionoc liquid 1-(3-hydroxypropyl)-3-methylimidazolium-bis(trifluoromethylsulfonyl)amide
T. Alammar, A. Birkner, O. Shekhah, A-V-Mudring
Mat. Chem. Phys. 120 (2010)109-113


Oxidation of 2-Propanol by Peroxo Titanium Complexes: A Combined Experimental and Theoretical Study
D. H. Friese, Ch. Hättig, M. Rohe, K. Merz, A. Rittermeier, M. Muhler
J. Phys. Chem. C 114 (2010) 19415-19418


Probing the Reactivity of ZnO and Au/ZnO Nanoparticles by Methanol Adsoption: A TPD and DRIFTS Study
K. Kähler, M. C. Holz, M. Rohe, J. Strunk, M. Muhler
ChemPhysChem 11 (2010) 2521-2529


Stearate-Based Cu Colloids in Methanol Synthesis: Structural Chemges Driven by Strong Metal-Support Interactions
S. Schimpf, A. Rittermeier, X. Zhang, Zi-An Li, M. Spasova, M. W. E. van den Berg, M. Farle, Y. Wang, R. A. Fischer, M. Muhler
ChemCatChem 2 (2010) 214-222


He atom scattering from ZnO surfaces: calculation of diffraction peak intensities using the close-coupling approach
R. Martinez-Casado, S. Miret-Artes, B. Meyer, F. Traeger. Ch. Wöll
J. Phys.: Condens. Matter 22 (2010) 304011

[ 2009 ]  [ TOP ]
Large scale morphology of ZnO(1 0 View the MathML source 0)-surfaces 
M. Kroll, T. Kuschel, T. Löber, U. Köhler
Surf.  Sci. 603 (2009) L49–L51

Nanoparticle Synthesis in Ionic Liquids
A-V. Mudring, T. Alammar, T. Bäcker, K. Richter
ACS Symposium Series 1030, 12 (2009) 177-188


Facile ultrasound-assisted synthesis of ZnO nanorods in an ionic liquid
T. Alammar, A-V. Mudring
Mat. Let. 63 (2009) 732-735


Facile preparation of Ag/ZnO nanoparticles via photoreduction
T. Alammar, A-V. Mudring
J. Mater. Sci. 44 (2009) 3218-3222


Ultrasound-Assisted Synthesis of CuO Nanorods in a Neat Room-Temperature Ionic Liquid
T. Alammar, A. Birkner, A-V. Mudring
Eur. J. Inorg. Chem. (2009) 2765-2768


On the Role of Aging, Washing, and Drying in the Synthesis of Polycrystalline Zinc Oxide by Precipitation: Combining Fast Continuous Mixing, Spray Drying and Freeze Drying to Unravel the Solid-State Transformations of the Precipitate
St. Kaluza, M. Muhler
Catal. Lett. 129 (2009) 287-292


Dynamical Changes in the Cu-ZnOx Interaction Observed in a Model Methanol Synthesis Catalyst
M. W. E. van den Berg, S. Polarz, O. P. Tkachenko, K. Kähler, M. Muhler, W. Grüner
t
Catal. Lett. 128, Nr 1-2 (2009)
49-56

Formation of weakly bound, ordered adlayers of CO on rutile TiO2(110): A combined experimental and theoretical study
M. Kunat, F. Traeger, D. Silber, H. Qiu, Y. Wang, A. C. van Veen, Ch. Wöll, P. M. Kowalski, B. Meyer, C. Hättig, D. Marx
J. Chem. Phys. 130 (2009) 144703


Composition, structure, and stability of the rutile TiO2(110) surface: Oxygen depletion, hydroxylation, hydrogen migration, and water adsorption
P. M. Kowalski, B. Meyer, D. Marx
Phys. Rev. B 79 (2009) 115410


Methanol synthesis on ZnO(0001). I. Hydrogen coverage, charge state of oxygen vacancies, and chemical reactivity
J. Kiss, A. Witt, B. Meyer, D. Marx
J. Chem. Phys. 130 (2009) 184706


The surface chemistry of ZnO nanoparticles applied as heterogeneous catalysts in methanol synthesis
J. Strunk, K. Kähler, X. Xia, M. Muhler
Surface Science 603 (2009) 1776-1783


The formation of colloidal copper monoparticles stabilized by zinc stearate: one-pot single-step synthesis and characterization of the core-shell particles
A. Rittermeier, S. Miao, M. K. Schröter, X. Zhang, M. W. E. van den Berg, S. Kundu, Y. Wang, S. Schimpf, E. Löffler, R. A. Fischer, M. Muhler
Phys. Chem. Chem. Phys. 11 (2009) 8358-8366


Thermodynamics and Kinetics of the Adsorption of Carbon Monoxide on Supported Gold Catalysts Probed by Static Adsorption Microcalorimetry: The Role of the Support
X. Xia, J. Strunk, W. Busser, M. Comotti, F. Schüth, M. Muhler
J. Phys. Chem. C 113 (2009) 9328-9335


On the precipitation mechanism and the role of the post-precipitation steps during the synthesis of binaty ZnO-Al2O3 composites with high specific surface area
S. Kaluza, M. Muhler
J. Mater. Chem. 19 (2009) 3914-3922


Au/ZnO as catalyst for methanol synthesis: The role oxygen vacancies
J. Strunk, K. Kähler, X. Xia, M. Comotti, F. Schüth, Th. Reinecke. M. Muhler
Applied Catalysis A: General 359 (2009) 121-128

Chemical Reactions on Metal Oxide Surfaces Investigated by Vibrational Spectroscopy
Y. Wang, Ch. Wöll
Surf. Sci. 603 (2009) 1589-1599

Au/TiO2 catalysts encapsulated in the mesopores of siliceous MCM-48- Reproducible synthesis, structural characterization and activity for CO oxidation
V. S. Narkhede, A. De Toni, V. V. Narkhede, M. Guraya, J. W. (Hans) Niementsverdriet, M. W. E. van den Berg, W. Grünert, H. Gies
Microporous and Mesoporous Materials 118 (2009) 52-60

Pd@MOF-5: Comparison of Gas-Phase Infiltration and Solution Impregnation of [Zn4O(bdc)3] (MOF-5) with Metal-Organic Palladium Precursors
D. Eskens, F. Schröder, S. Hermes, O. Lebedev, R. A. Fischer
J. Mater. Chem. 19 (2009)
1-7

Facile, environmentally friendly fabrication of porous silver monoliths using the ionic liquid N-(2-hydroxyethyl)ammonium formate
K. Richter, T. Bäcker, A.-V. Mudring
Chem. Commun., (2009) 301-303

The adsorbate structure of ferrocene inside [Al(OH)(bdc]x (MIL-53): a powder X-ray diffraction study
M. Meilikov, K. Yusenko, R. A. Fischer
Dalton Trans. 2009 (2009) 1-3


Nanometer-sized titania hosted MOF-5
M. Müller, X. Zhang, Y. Wang, R. A. Fischer
Chem. Commun. 2009 (2009) 119-121

[ 2008 ]  [ TOP ]

Doping of Metal-Organic Frameworks with Functional Guest Molecules and Nanoparticles
F. Schröder, R. A. Fischer
Topics Curr. Chem., eingeladener Übersichtsartikel, angenommen 2008


Correlations between synthesis, precursor, and catalyst structure and activity of a large set of CuO/ZnO/ZnO/Al2O3 catalysts for methanol synthesis
C. Baltes, S. Vukojevic, F. Schüth
J. of Catal., 258, 334-344, (2008)

Effect of the titania morphology on the Au/TiO2-catalyzed aerobic epoxidation of stilbene
P. Lignier, M. Comotti, F. Schüth, J.-L. Rousset, V. Caps
Catalysis Today, in press, (2008)

Direct Imaging of Loaded Metal-Organic Framework Materials (Metal@MOF-5)
S. Turner, O. I. Lebedev, F. Schröder, D. Esken, R. A. Fischer, G. van Tendeloo
Chem. Mater. 20 (2008) 5622-5627

Characterization of interfacial water in MOF-5 (Zn4(O)(BDC)3)- a combined spectroscopic and theoretical study
K. Schröck, F. Schröder, M. Heyden, R. A. Fischer, M. Havenith
Phys. Chem. Chem. Phys. 10 (2008) 4732-4739

Thermodynamics of Carbon Monoxide Adsorption on Polycrystalline Titania Studied by Static Adsorption Microcalorimetry
X. Xia, W. Busser, J. Strunk, M. Muhler
Langmuir 23 (2008) 11063-11066

Preparation of ZnO colloids by pyrolysis of [MeZnOiPr]4 in the presence of hexadecylamine and probing the surface chemistry of the nanoparticles by CO/CO2 adsorption studies followed by FTIR
T. Hikov, A. Rittermeier, M.-B. Luedemann, C. Herrmann, M. Muhler, R. A. Fischer
J. Mater. Chem., 18 (2008) 3325-3331

A density functional study of the methanol synthesis at an oxygen vacancy at the polar ZnO (000-1) surface
G. Rossmüller, V. Kleinschmidt, J. Kossmann, C. Hättig
J. Phys. Chem. C, in press

Gas-Phase Loading of [Zn4O(btb)2] with Organometallic CVD-Precursors: Inclusion Compounds of the Type [LnM]a@MOF-177 and the Formation of Cu and Pd Nanoparticles inside MOF-177
M. Müller, O. I. Lebedev, R. A. Fischer
J. Mater. Chem. 18 (2008) 5274-5281

Deposition and Characteriszation of functional nanoparticles of lead-zirocnia titanate (PZT) in matrices of mesoporous silicia of MCM-48-Type structure
V. Narkhede, H. Gies
Nanoporous Materials, Singapore, (2008) 55-62

High Surface Area ZnO Nanoparticles via a Novel Continuous Precipitation Route
S. Kaluza, M. K. Schröter, R. Naumann d’Alnoncourt, T. Reinecke, M. Muhler
Adv. Funct. Mater. 18 (2008) 3670-3677

Nucleation and Growth of ZnO in Organic Solvents - an in Situ Study
C. Lizandara-Pueyo, M. W. E. van den Berg, A. De Toni, T. Goes, S. Polarz
J.Am.Chem.Soc., DOI: 10.1021/ja804071h

Organometallic Access to Intermetiallic Q-CuE2 (E = Al, Ga) and Cu1-xAlx Phases
M. Cokoja, B. R. Jagirdar, H. Parala, A. Birkner, R. A. Fischer

Eur. J. Inorg. Chem. 2008 (2008) 3330-3339

Parallelized N2O Frontal Chromatography for the Fast Determination of Copper Surface Areas
S. Olejnik, C. Baltes, M. Muhler, F. Schüth
J. Comb. Chem. 10 (2008) 387-390

Ordered mesoporous Co3O4 as highly active catalyst for low temperature CO-oxidation
H. Tüysüz, M. Comotti, F. Schüth
Chem. Com. 2008 (2008) 4022-4024

Ionization energies of shallow donor states in ZnO created by reversible formation and depletion of H interstitials
H. Qiu, B. Meyer, Y. Wang, Ch. Wöll
PRL ,101 (2008) 236401

The indentification of hydroxyl groups on ZnO nanoparticles by infrared spectroscopy
H. Noei, H. Qiu, Y. Wang, E. Löffler, Ch. Wöll, M. Muhler
Phys. Chem. Chem. Phys. 10 (2008) 7092-7097

Direct monitoring of photo-induced reactions on well-defined metal oxide surfaces using vibrational spectroscopy
C. Rohmann, Y. Wang, M. Muhler, J. Metson, H. Idriss, Ch. Wöll
Chem. Phys. Lett. 460 (2008) 10-12

High Resolution Electron Energy Loss Spectroscopy on Perfect and Defective Oxide Surfaces
Y. Wang
Z. Phys. Chem. 222 (2008) 927-966

Carbon-carbon Bond Formation on Model Titanium Oxide Surfaces: Identification of Surface Reaction Intermediates by High –Resolution electron Energy Loss Spectroscopy
H. Qiu, H. Idriss, Y. Wang, Ch. Wöll
J. Phys. Chem. C 112 (2008) 9828-9834

A gold-containing TiO complex: a crystalline molecular precursor as an alternative route to Au/TiO2 composites
M. Rohe, E. Löffler, M. Muhler, A. Birkner, Ch. Wöll, K. Merz
Dalton Trans. 44 (2008) 6106-6109

The back-titration of chemisorbed atomic oxygen on copper by carbon monoxide investigated by micro-calorimetry and transient kinetics
R. Naumann d´Alnoncourt, B. Graf, X. Xia, M. Muhler
J. of. Thermal Analysis and Calorimetry 91 (2008) 173-179

Probing the Surface Heterogeneity of Polycrystalline Zinc Oxide by Static Adsorption Microcalorimetry. 2. The Adsorption of Carbon Monoxide
X. Xia, J. Strunk, R. Naumann d´Alnoncourt, W. Busser, L. Khodeir, M. Muhler
J. Phys. Chem. C 112 (2008) 10931-10937

Probing the Surface Heterogeneity of Polycrystalline Zinc Oxide by Static Adsorption Microcalorimetry. 1. The Influence of the Thermal Pretreatment on the Adsorption of Carbon Dioxide
X. Xia, J. Strunk, W. Busser, R. Naumann d´Alnoncourt, M. Muhler
J. Phys. Chem. C 112 (2008)10938-10942

Influence of Metals and Reduced Oxygen Species on the Photooxidation of 2-Propanol with a Cesium Peroxidotitanate Complex
M. Rohe, K. Merz
Eur. J. Inorg. Chem. 2008 (2008) 3264–3268

Entropy of Adsortion of Carbon Monoxide on Energetically Heterogeneous Surfaces
X. Xia, R. Naumann d`Alnoncourt, M. Muhler
J. of Thermal Analysis and Calorimetry 91 (2008) 167-172

CO2 Adlayers on the Mixed Terminated ZnO(10-10) Surface Studied by He Atom Scattering, Photoelectron Spectroscopy and Ab Initio Electronic Structure Calculations
K. Kotsis, D. Stodt, V. Staemmler, R. Kovacik, B. Meyer, F. Traeger, D. Langenberg, Th. Strunskus, M. Kunat, Ch. Wöll
Z. Phys. Chem. 222, (2008) 891-915

Loading of MOF- 5  with Cu and  ZnO Nanoparticles by Gas-Phase Infiltration with Organometallic Precursors: Properties of  Cu / ZnO @ MOF - 5 as Catalyst for Methanol Synthesis.
Chem. Mater.  20 (14) (2008) 4576-4587
M. Mueller, S. Hermes, K. Kähler, M. W. E. van den Berg, M. Muhler, Martin; R. A. Fischer  


Ruthenium Nanoparticles Inside Porous [Zn4O(bdc)3] by Hydrogenolysis of Adsorbed [Ru(cod)(cot)]: A Solid State Reference System for Surfactant Stabilized Ruthenium Colloids.
Felicitas Schröder, Daniel Esken, Mirza Cokoja, Maurits W. E. van den Berg, Oleg I. Lebedev, Gustaaf Van Tendeloo,  Bernadeta Walaszek, Gerd Buntkowsky, Hans-Heinrich-Limbach, Bruno Chaudret and Roland A. Fischer
J. Am. Chem. Soc. 130 (2008) 6119-6130


Diffusion versus Desorption: Complex Behavior of H Atoms on an Oxide Surface
X.-L. Yin, M. Calatayud, H. Qiu, Y. Wang, A. Birkner, C. Minot, Ch. Wöll
ChemPhysChem, 9, 2 (2008) 253-256


Lithium-promoted hydrogenation of carbon dioxide to formates by heterobimetallic hydridozinc aloxide clusters
K. Merz, M. Moreno, E. Löffler, L. Khodeir, A. Rittermeier, K. Fink, K. Kotsis, M. Muhler, M. Driess
Chem. Commun. (2008) 73


Active Peroxo Titanium Complexes: Syntheses, Characterization and their Potential
M. Rohe, K. Merz
Chem. Commun. (2008) 862


Hydrated Zinc p-Aminobenzoate [Zn(p-H2NC6H4COO)2(H2O)]·H2O from a Layered Zinc Hydroxide
N. v. Prondzinski, K. Merz
Z. Anorg. Allg. Chem. 634 (2008) 555


[ 2007 ]  [ TOP ]

Photoinduced growth of Cu nanoparticles on ZnO from CuCl2 in methanol
L. Lu, S. Hu, H.-I. Lee, Ch. Wöll, R. A. Fischer
J. of Nano. Res. 9 (2007) 491-496

Organometallic Synthesis of Colloidal a-Iß-NiAl Nanoparticles and Selective Aluminium Oxidation in a-Ni1-xAlx Nanoalloys
M. Cokoja, H. Parala, A. Birkner, O. Shekhah, M. W. E. an den Berg, R. A. Fischer
Chem. Mater. 19 (2007) 5721-5733

Preparation of High-Surface-Area Zinc Oxide with Ordered Porosity, Different Pore Sizes, and Nanocrystalline Walls
S. Polarz, A. V. Orlov, F. Schüth, A.-H. Lu

Chem. Eur. J. 13 (2007) 592-597

Comparison of gold supported catalysts obtained by using different allotropic forms of titanium dioxide
M. Comotti, C. Weidenthaler, W.-C. Li, F. Schüth
Top. Catal., 44 (2007) 275-284

Die Steuerung der Reaktivität von Oxidoberflächen durch ladungsakzeptierende Adsorbate
Y. Wang, X. Xia, A. Urban, H. Qiu, J. Strunk, B. Meyer, M. Muhler, Ch. Wöll
Ang. Chem. 119 (2007) 7456-7459
Tuning the Reactivity of Oxide Surfaces by Charge-Accepting Adsorbates

Y. Wang, X. Xia, A. Urban, H. Qiu, J. Strunk, B. Meyer, M. Muhler, Ch. Wöll
Ange. Chem. Int. Ed. 46 (2007) 7315-7318

Isothermal adsorption kinetics on heterogeneous surfaces
X. Xia, R. Naumann d´Alnoncourt, J. Strunk, S. Litvinov, M. Muhler
Appl. Surf. Sc. 253 (2007) 5851-5855

Influence of Re-adsorption and Surface Heterogeneity on the Microkinetic Analysis of Temperature-Programmed Desorption Experiments
X. Xia, J. Strunk, S. Litvinov, M. Muhler
J. Phys. Chem. C 111 (2007) 6000-6008

F-Zentren versus Dimerleerstellen auf ZnO-Oberflächen: Charakterisierung durch STM- und STS-Rechnungen
R. Kovacik, B. Meyer, D. Marx
Ang. Chem. 119 (2007) 4980-4984
F Centers versus Dimer Vacancies on ZnO Surfaces: Characterization by STM and STS Calculations
R. Kovacik, B. Meyer, D. Marx
Ang. Chem. Int. Ed. 46 (2007) 4894-4897


Diffraction patterns of He atoms from the MgO(100) surface calculated by the close-coupling method
R. Martinez-Casado, B. Meyer, S. Miret-Artés, F. Traeger, Ch. Wöll
J. Phys.: Condens. Matter 19, (2007) 306006

The chemistry and physics of zinc oxide surfaces
Ch. Wöll
Progress in Surface Science 82 (2007) 55-120


CO2-Aktivierung durch ZnO unter Bildung eines ungewöhnlichen dreizähnigen Oberflächencarbonats:
Resultate einer kombinierten experimentellen und theoretischen Studie

Y. Wang, R. Kovacik, B. Meyer, K. Kotsis, D. Stodt, V. Staemmler, H. Qiu, F. Traeger, D. Langenberg,
M. Muhler, Ch. Wöll
Angew. Chem. 119 (2007)
5722-5725

CO2 Activation by ZnO via Formation of an Unusual Tridentate Surface Carbonate:
Results of a Combined Experimental and Theoretical Study

Y. Wang, R. Kovacik, B. Meyer, K. Kotsis, D. Stodt, V. Staemmler, H. Qiu, F. Traeger, D. Langenberg,
M. Muhler, Ch. Wöll

Angew. Chem. Intern. Ed. 46 (2007) 5624-5627

Sodium 2,4-dinitrophenolate monohydrate
N. von Prondzinski, M. Winter, K. Merz
Acta Cryst. E63 (2007) m1687


Small Cu-clusters on ZnO(0001)-Zn: Nucleation and annealing behavior
M. Kroll, U. Köhler
Surface Science 601 (2007) 2182-2188


[(bmpyr)2{(Zn(OC6H3(NO2)2)4}]: Influence of an Ionic Liquid on Liquid/Liquid Extraction of Metal Ions in a Biphasic System
N. von Prondzinski, A. Babai, A.-V. Mudring, K. Merz
Z. Anorg. Allg. Chem. 633 (2007) 1490 1492


From Neutral Zn4O4 Cluster to a Cationic ZnO Dimer in Solution
M. Driess, K. Merz, R. Schoenen
Organomatallics 26 (2007) 2133-2136


CuO/ZnO Nanoparticles in a Matrix of Amorphous Silica as High-Surface Precursors for Methanol Synthesis
B. Rohe, R. Weiss, S. Vukojevic. Ch. Baltes, M. Muhler, M. Tausch, M. Epple
Eur. J. Inorg. Chem. (2007) 1723-1727


[ 2006 ]  [ TOP ]

Spectroscopic evidence for the partial dissociation of H2O on ZnO(10-10)
Y. Wang, M. Muhler, Ch. Wöll
Phys. Chem. Chem. Phys. 8 (2006) 1521-1524

Synthesis, structural characterization and thermochemical reactivity of tris (ethylenediamine)
zinc tetracyanozincate, a precursor for nanoscale ZnO

Y. Guo, R. Weiss, R. Boese, M. Epple
Thermochimica Acta 446 (2006) 101-105

Real Condition High Throughput Screening of Cu/ZnO/Al2O3 Catalysts for Methanol Synthesis
C. Baltes, S. Vukojevic, F. Schüth
DGMK/SCI-Tagungsbericht 2006-4 ISBN 3-936418-8

On the Role of Oxygen Defects in the Catalytic Performance of Zinc Oxide
S. Polarz, J. Strunk, V. Ischenko, M. W. E. van den Berg, O. Hinrichsen, M. Muhler, M. Driess
Angew. Chem. Int. Ed. 45 (2006) 2965-2969

Non aqueous loading of the mesoporous siliceous MCM-48 matrix with ZnO: a comparison of solution,
liquid and gas-phase infiltration using diethyl zinc as organometallic precursor

F. Schroder, S. Hermes, H. Parala, T. Hikov, M. Muhler, R. A. Fischer
J. Mater. Chem. 16 (2006) 3565-3574

Nanocast mesoporous MgAl2O4 spinel monoliths as support for highly active gold CO oxidation catalyst
W.-C. Li, M. Comotti, A.-H. Lu, F. Schüth
Chem. Common. (2006) 1772-1774

Loading of porous metal-organic open frameworks with organometallic CVD precursors:
including compounds of the type [LnM]a@MOF-5

S. Hermes, F. Schröder, S. Amirjalayer, R. Schmid, R. A. Fischer
J. Mater. Chem. 16 (2006) 2464-2472

High-Temperature-Stable Catalysts by Hollow Phere Encapsulation
P. M. Arnal, M. Comotti, F. Schüth
Angew. Chem. Int. Ed. 45 (2006) 8224-8227

Decreased CO production in Methanol steam reforming over Cu/ZrO2 catalyst prepared by
the microemulsion technique

I. Ritzkopf, S. Vukojevic, C. Weidenthaler, J.-D. Grunwaldt, F. Schüth
Applied Catalysis A: General 302 (2006) 215-223

Cu/ZnO aggregates in siliceous mesoporous matricrs: Development of a new model
methanol synthesus catalyst

M. W. E. van den Berg, S. Polarz, O. P. Tkachenko, K. V. Klementiec, M. Bandyopadhyay, L. Khodeir, H. Gies, M. Muhler, W. Grünert
J. of Catalysis 241 (2006) 446-455

Cu/Zn/Al Xerogels and Aerogels Prepared by a Sol-Gel Reaction as Catalysts for Methanil Synthesis
Y. Guo, W. Meyer-Zaika, M. Muhler, S. Vukojevic, M. Epple
Eur. J. Inorg. Chem. (2006) 4774-4781

Crystal structure and thermochemical reactivity of an unusual copper complex that contains
copper in four different coordination geometries

R. Weiss, G. Jansen, R. Boese, M. Epple
Dalton Trans. (2006) 1831-1835

Coverage-Dependent Kinetics and Thermodynamics of Carbon Monoxide Adsorption on a Ternary
Copper Catalyst Derived from Static Adsoption Microcalorimetry

X. Xia, R. Naumann dÁlnoncourt, J. Strunk. S. Litvinov M. Muhler
J. Phys. Chem. B 110 (2006) 8409-8415

Copper/Zinc L-Tartrates: Mixed Crystals and Thermolysis to a Mixture of Copper Oxide and
Zinc Oxide That Is Catalytically Active in Methanol Synthesis

R. Weiss, S. Vukojevic, Ch. Baltes, R. Naumann dÁlnoncourt, M. Muhler, M. Epple
Eur. J. Inorg. Chem. (2006) 4782-4786

Convenient Access to Homo- and Heterobimetallic Alkoxo Hydridozine Clusters of Formular [(HZnOtBu)4-n(LiOtBu)n](n)0,1,2,3)
W. Marciniak, K. Merz, M. Moreno, M. Driess
Organometallics Vol 25, No 21 (2006) 4931-4933

Consistent Approach to Adsorption Thermodynamics on Heterogeneous Surface Using Different Empirical Distribution Models
X. Xia, S. Litvinov, M. Muhler
Langmuir 22 (2006) 8063-8070

Catalytic Activity of Copper Oxide/zinc Oxide Composites Prepared by Thermolysis of Crystallographically
Defined Bimetallic Coordination Compounds

R. Weiss, Y. Guo, S. Vukojevic, L. Khodeir, R. Boese, F. Schüth, M. Muhler, M. Epple
Eur. J. Inorg. Chem. (2006) 1796-1802

A colloidal ZnO/Cu nanocatalyst for methanol synthesis
M. K. Schröter, L. Khodeir, M. W. E. van den Berg, T. Hikov, M. Cokoja, S. miao, W. Grünert, M. Muhler, R. A. Fischer
Chem. Commun. (2006) 2498-2500

Nano-brass colloids: synthesis by co-hydrogenolysis of [CpCu(PMe3)] with [ZnCp*2] and investigation
of the oxidation behaviour of a/b-CuZn nanoparticles

Mirza Cokoja, Harish Parala, Marie Katrin Schröter, Alexander Birkner, Maurits W. E. van den Berg,
Konstantin V. Klementiev, Wolfgang Grünert and Roland A. Fischer
J. Mater. Chem. 16 (2006) 2420-2428

The reduction of copper in porous matrices—the role of electrostatic stabilisation
O. P. Tkachenko, K. V. Klementiev, M. W. E. van den Berg, H. Gies, W. Grünert

Phys. Chem. Chem. Phys. 8 (2006) 1539-1549


Microkinetic modeling of CO TPD spectra using coverage dependent microcalorimetric heats of adsorption

J. Strunk, R. Naumann d‘Alnoncourt, M. Bergmann, S. Litvinov, X. Xia, O. Hinrichsen and M. Muhler
Phys. Chem. Chem. Phys. 8 (2006) 1556-1565


The influence of strongly reducing conditions on strong-metal support interactions in Cu/ZnO catalysts used for methanol synthesis
R. Naumann d'Alnoncourt, X. Xia, J. Strunk, E. Löffler, O. Hinrichsen, and M. Muhler
Phys. Chem. Chem. Phys. 8 (2006) 1525-1538

Nanometallurgy of Colloidal Aluminides: Soft Chemical Synthesis of CuAl2 and α/β-CuAl Colloids by Co-Hydrogenolysis of (AlCp*)4 with [CpCu(PMe3)]
Mirza Cokoja, Harish Parala, Marie-Katrin Schröter, Alexander Birkner, Maurits W. E. van den Berg, Wolfgang Grünert and Roland A. Fischer
Chem. Mater. 18 (2006) 1634-1642

Gold nano-particles stabilized in mesoporous MCM-48 as active CO-oxidation catalyst
M. Bandyopadhyay, O. Korsak, M. W. E. van den Berg, W. Grünert, A. Birkner, W. Li, F. Schüth, H. Gies
Microporous Mesoporous Materials 89 (2006) 158-163


Adsorption of atomic hydrogen on ZnO(1010): STM study
X. L. Yin, A. Birkner, K. Hänel, Th. Löber, U. Köhler, Ch. Wöll
Phys. Chem. Chem. Phys. 8 (2006) 1477-1481

Catalytic activity of copper oxide/zinc oxide composites prepared by thermolysisof crystallographically defined bimetallic coordination compounds
R. Weiss, Y. Guo, S. Vukojević, L. Khodeir, R. Boese, F. Schüth, M. Muhler, M. Epple
European J. of Inorganic Chem. (2006) angenommen


Ab initio cluster calculations on the electronic structure of oxygen vacancies at the polar ZnO(000-1) surface and on the adsorption of H2, CO, and CO2 at these sites
K. Fink
Phys. Chem. Chem. Phys. 8 (2006) 1482-1489

Helium Atom scattering from Oxide Surface
F. Traeger
Chem. Phys. Chem. 7 (2006) 1006-1013


Spectroscopic Evidence for the Partial Disociation of H2O on ZnO(1010)
         
Y. Wang, M. Muhler, Ch. Wöll
Phys. Chem. Chem. Phys. 8 (2006) 1521-1524


Water adsorption on the hydroxylated H-(1 x 1) O-ZnO(000-1) surface

M. Schiek, K. Al-Shamery, M. Kunat, F. Traeger, Ch. Wöll
Phys. Chem. Chem. Phys. 8 (2006) 1-8


Support Effect in High Activity Gold Catalysts for CO Oxidation
M. Comotti, W.-C. Li, B. Spliethoff, F. Schüth
J. Am. Chem. Soc. 128 (2006) 917-924


Decreased CO production in methanol steam reforming over Cu/ZrO2 catalysts prepared by the microemulsion technique
Ritzkopf, Inga; Vukojević, Sascha; Weidenthaler, Claudia; Grunwaldt, Jan-Dierk; Schüth, Ferdi

Appl.Catal
. A: Gen. 2006 im Druck

Ab initio calculations of the O1s XPS spectra of ZnO and Zn oxo compounds
K. Kotsis, V. Staemmler
Phys. Chem. Chem. Phys. 8 (2006) 1490-1498


Structure and surface termination of ZnO films grown on (0001)- and (1120) -oriented Al2O3
M. Ay, A. Nefedov, G. Girol, Ch. Wöll, H. Zabel
Thin Solid Films 510 (2006) 346-350


Selective photo-deposition of Cu onto the surface of monodisperse oleic acid capped TiO2 nanorods probed by FT-IR CO-adsorption studies
T. Hikov, M.-K. Schroeter, L. Khodeir, A. Chemseddine, M. Muhler and R. A. Fischer
Phys. Chem. Chem. Phys. 8 (2006) 1550-1555


Structure and dynamics of CO overlayers on a hydroxylated metal oxide: The polar ZnO(000-1) surface           
Kunat
, Martin; Meyer, Bernd; Traeger, Franziska; Wöll, Christof           
Phys.
Chem. Chem. Phys. 8 (2006) 1499-1504

Water adsorption on ZnO(10-10): From single molecules to partially dissociated monolayers
Meyer, Bernd; Rabaa, Hassan; Marx, Dominik
Phys. Chem. Chem. Phys. 8 (2006) 1513-1520


Highly Reproducible Syntheses of Active Au/TiO2 Catalysts for CO Oxidation by Deposition-Precipitation or Impregnation.
Li, Wen-Cui; Comotti, Massimiliano; Schüth, Ferdi

J.Catal. 237 (2006) 190-196


[ 2005 ]  [ TOP ]

The Cluster Approach for the Adsorption of Small Molecules on Oxide Surface
V. Staemmler
Top. Organomet. Chem. 12 (2005) 219-256

Synthesis, structural characterization and thermochemical reactivity of tris(ethylenediamine)zinc tetracyanozincate, a precursor for nanoscale ZnO
Yanzhi Guo, Rainer Weiss, Roland Boese, and Matthias Epple
Thermochimica Acta 2005 accepted

Ab initio Calculations of the Zn 2s and 2p Core Level Binding Energies in Zn oxo Compounds and ZnO
N. Rössler, K. Kotsis, V. Staemmler

Phys. Chem. Chem. Phys. 2005, accepted


Crystal Structure and Thermochemical Reactivity of an Unusual Copper Complex Which Contains
Copper in Four Different Coordination Geometries

Weiss, Rainer; Jansen, Georg; Boese, Roland; Epple, Matthias
Dalton Trans. 2005, accepted


Observation of the Dynamical Change in a Water Monolayer Adsorbed on a ZnO Surface           
Dulub, Olga; Meyer, Bernd; Diebold, Ulrike           
Phys. Rev. Lett.
95 (2005) 136101


ZnO nanoparticles with defects.
Ischenko, Vladislav; Polarz, Sebastian; Grote, Dirk; Stavarache, Veronika; Fink, Karin; Driess, Matthias
Adv
. Funct. Mater. 15 (2005) 1945-1954

Molecular Encoding at the Nanoscale: From Complex Cubes To Bimetallic Oxides.
Polarz, Sebastian; Orlov, Andrey; van den Berg, Maurits; Driess, Matthias

Angew
. Chem. Int. Ed. 44 (2005) 7892-7896

Chemical Vapour Synthesis of Size-Selected Zinc Oxide Nanoparticles.
Polarz, Sebastian; Roy, Abhijit; Merz, Michael; Halm, Stefan; Schröder, Detlev; Schneider, Lars; Bacher, Gerd; Kruis, Frank E.; Driess, Matthias

Small
1 No.5 (2005) 540 -552

Consecutive fragmentations of the cubane-like zinc cluster [CH3Zn(O-i-C3H7)]4 upon electron ionization.
Schroeder, Detlev; Schwarz, Helmut; Polarz, Sebastian; Driess, Matthias

Phys. Chem. Chem. Phys.
  7 (2005) 1049-1053

Straightforward Route to Copper/Zinc Oxide Nanocomposites: The Controlled Thermolysis of Zn[Cu(CN)3
Guo, Yanzhi; Weiss, Rainer; Epple, Matthias
Eur. J. Inorg.
Chem. (2005) 3072-3079

X-ray absorption spectroscopy on solid catalysts selected by high-throughput experimentation techniques
Grunwaldt
, Jan-Dierk; Kiener, Christoph; Schüth, Ferdi; Baiker, Alfons
Phys. Scripta T 115 (2005) 819
-821

E
vidence for C-C bond cleavage by H2O2 in a mesoporous CMK-5 type carbon at room temperature
Lu, An.Hui; Li, Wen-Cui; Muratova, Nelli; Spliethoff, Bernd; Schüth, Ferdi
Chem.Commun. (2005) 5184-5186


Quasi-homogenous methanol synthesis over highly active copper nanoparticles
Vukojevic, Sascha; Trapp, Oliver; Grundwaldt, Jan-Dierk; Kiener, Christoph, Schüth, Ferdi
Angew. Chem. Int. Ed. 44 (2005) 7978-7981
(Angew. Chem. 117 (2005) 8192-8195)


Chemical Vapor Deposition and Synthesis on Carbon Nanofibers: Sintering of Ferrocene-Derived Supported Iron Nanoparticles and the Catalytic Growth of Secondary Carbon Nanofibers
W. Xia, D. Su, A. Birkner, L. Ruppel, Y. Wang, Ch. Wöll, J. Qian, Ch. Liang, G. Marginean, W. Brandl, M. Muhler
Chem. Mater. 17 (2005) 5737-5742


Metall@MOF: Beladung hoch poröser Koordinationspolymergitter durch Metallorganische Chemische Dampfabscheidung
S. Hermes, M.-K. Schröter, R. Schmid, L. Khodeir, M. Muhler, A. Tissler, R. W. Fischer und R. A. Fischer
Angew. Chem. 117 (2005) 6394-6397

Metal@MOF: Loading of Highly Porous Coordination Polymers Host Lattices by Metal Organic Chemical Vapor Deposition
S. Hermes, M.-K. Schröter, R. Schmid, L. Khodeir, M. Muhler, A. Tissler, R. W. Fischer und R. A. Fischer
Angew. Chem. Int. Ed. 44 (2005) 6237-6241


The coverage-dependent adsorption of carbon monoxide on hydrogen-reduced copper catalysts:
the combined application of microcalorimetry, temperature-programmed desorption and FTIR spectroscopy

R. Naumann d´Alnoncourt, M. Bergmann, J. Strunk, E. Löffler, O. Hinrichsen, M. Muhler
Thermochimica Acta 434 (2005) 132-139

Mesosynthesis of ZnO-Silica Composites for Methanol Nanocatalysis
S. Polarz, F. Neues, M. W. E. van den berg, W. Grünert, L. Khodeir
J. Am. Chem. Soc. 127 (2005) 12028-12034


Hydrogen Induced Metallicity on the ZnO(10-10) Surface
Y. Wang, X. Yin, M. Kunat, D. Langenberg, F. Traeger, A. Birkner, B. Meyer and Ch. Wöll
Phys. Rev. Lett. 95 (2005) 266104

Reduction of Copper in Porous Matrices. Stepwise and Autocatalytic Reduction Routes
O. P. Tkachenko, K. V. Klementiev, M. W. E. van den Berg, N. Koc, M. Bandyopadhyay, A. Birkner, C. Wöll, H. Gies, W. Grünert
J. Phys. Chem. B 109 (2005) 20979-20988

Ab initio cluster calculations for the absorption energies of F and F+ centers in bulk ZnO

K. Fink
Phys. Chem. Chem. Phys. 7 (2005) 2999-3004


Synthesis of MCM-48 by microwave-hydrothermal process
M. Bandyopadhyay, H. Gies
C. R. Chimie 8 (2005) 621-626

Synthesis and Characterization of Mesoporous MCM-48 Containing TiO2 Nanoparticles
M. Bandyopadhyay, A. Birkner,
M. W. E. van den Berg, K. V. Klementiev, W. Schmidt, W. Grünert, H. Gies
Chem. Mater. 17 (2005) 3820-3829


Active Sites on Oxide Surfaces: ZnO-Catalyzed Synthesis of Methanol from CO and H2
Melanie Kurtz, Jennifer Strunk, Olaf Hinrichsen, Martin Muhler, Karin Fink, Bernd Meyer, and Christof Wöll
Angew. Chem. Int. Ed. 44 (2005) 2790 –2794

Aktive Zentren an Oxidoberflächen: Die ZnO-katalysierte Methanolsynthese aus CO und H2
Melanie Kurtz, Jennifer Strunk, Olaf Hinrichsen, Martin Muhler, Karin Fink, Bernd Meyer und Christof Wöll
Angew. Chem. 117 (2005) 2850 –2854

[ 2004 ]  [ TOP ]

EXPLORING THE CATALYTIC ACTIVITY OF METAL NANOPARTICLES IN FUNCTIONALIZED MESOPOROUS SILICA
Yang, C., Wüstefeld, H., Kalwei, M. and Schüth, F.
Proceedings: 14th International Zeolite Conference Cape Town, South Africa 25 . 30 April 2004


On the nature of the low-lying singlet states of 4-(dimethyl-amino)-benzonitrile
           
Köhn, Andreas; Hättig, Christof           
Journal of the American Chemical Society
(2004), 126 (23), 7399 - 7410


Hydrogen adsorption on metal oxide surfaces: a reinvestigation using He-atom scattering           
Wöll,Christof            
J. Phys.: Condens. Matter
2004, 16, 2981-2994


The adsorption of hydrogen on the rutile TiO2(110) surface            
Kunat, Martin; Burghaus, Uwe; Wöll, Christof
Phys. Chem. Chem. Phys. 2004, 6, 4203-4207


The reduction of copper in porous matrices.
O.P. Tkachenko, K.V. Klementiev, N. Koc, X. Xu, M. Bandyopadhyay, S. Grabowski, H. Gies, W. Grünert           
Studies in Surface Science and Catalysis,
2004,154, 1670–1678


ZnO Particles encapsulated in a Porous Cu2O Nanoparticle Layer Prepared by UV-Light Induced Photoreduction of Cu(NO3)2∙3H2O over ZnO in Methanol Suspension.
Lu, Lianhai, Fischer, Roland A.   
Chem. Lett.
(2004), 33, 1318-1319

Reactivity of ZnO Surface towards Maleic Anhydride
S. Girol, Th. Strunskus, M. Muhler, Ch. Wöll
J. Phys. Chem. B 2004, 108, 13736-13745



Mikrokinetische Modellierung als Brücke zwischen Quantenchemie und Bilanzgleichungen
J. Strunk, M. Bergmann, O. Hinrichsen, K. Fink, I. Hegemann, B. Meyer
Chemie Ingenieur Technik 2004, 76, Nr. 9


The valence electronic structure of zinc oxide powders as determinated by X-ray emission spectroscopy:
variation of electronic structure with particle size

T. Strunskus, O. Fuchs, L. Weinhardt, C. Heske, M. Guraya, M. Muhler, V. Staemmler, Ch. Wöll
J. of Electron Spectroscopy and Related Phenomena 134, 183-189, (2004)

Redox Chemistry of Colloids Probed by Adsorbed CO:
An in Situ Attenuated Total Reflection Fourier Transform Infrared Study

M. K. Schröter, L. Khodeir, J. Hambrock, E. Löffler, M. Muhler, R. A. Fischer
Langmuir, 20, 9453-9455, (2004)

First-principles study of the polar O-terminated ZnO surface in thermodynamic equilibrium with oxygen and hydrogen
B. Meyer
Physical Review B 69, 045416 (2004)

Density-functional study of Cu atoms, monolayers, films and coadsorbates on polar ZnO surface
B. Meyer, D. Marx
Physical Review B 69, 235420 (2004)

Partial dissociation of water leads to stable superstructures on the surface of zinc oxide
B. Meyer, D. Marx, O. Dulub, U. Diebold, M. Kunat, D. Langenberg, Ch. Wöll
Angew. Chemie, Int. Ed. 43, 6642-6645, (2004)

Partielle Dissoziation von Wasser führt zu stabilen Überstrukturen auf der Oberfläche von Zinkoxid

B. Meyer, D. Marx, O. Dulub, U. Diebold, M. Kunat, D. Langenberg, Ch. Wöll
Angew. Chemie, 116, 6810-6814, (2004)


MOCVD-Beladung mesoporöser Silicatmatrizen mit Cu/ZnO: neuartige Trägerkatalysatoren für die Methanolsynthese
Ralf Becker, Harish Parala, Frank Hipler, Olga P. Tkachenko, Konstantin V. Klementiev, Wolfgang Grünert, Hagen Wilmer, Olaf Hinrichsen, Martin Muhler, Alexander Birkner, Christof Wöll, Sven Schäfer, Roland A. Fischer
Angew. Chem., 116, 2899-2903, (2004)


MOCVD-Loading of Mesoporous Siliceous Matrices with Cu/ZnO: Supported Catalysts for Methanol Synthesis
Ralf Becker, Harish Parala, Frank Hipler, Olga P. Tkachenko, Konstantin V. Klementiev, Wolfgang Grünert, Hagen Wilmer, Olaf Hinrichsen, Martin Muhler, Alexander Birkner, Christof Wöll, Sven Schäfer, Roland A. Fischer
Angew. Chem. int. Ed., 43, 2839-2842, (2004)



THE REDUCTION OF COPPER IN POROUS MATRICES
Proceedings: 14th International Zeolite Conference, 25-30 April 2004-05-13
O. P. Tkachenko, K. V. Klementiev, N. Koca, X. Yua, M. Bandyopadhyay, S. Grabowski, H. Gies, W. Grünert

Rationales Katalysatordesign am Beispiel des Methanolkatalysators
M. Kurtz, N. Bauer, H. Wilmer, O. Hinrichsen und M. Muhler
Chemie Ingenieur Technik 2004, 76, Nr. 1-2


Rational Catalyst Design of Methanol Synthesis Catalysts
M. Kurtz, N. Bauer, H. Wilmer, O. Hinrichsen and M. Muhler
Cem. Eng. Technol. 2004, 27, No. 11


New synthetic routes to more active Cu/ZnO catalysts used for methanol synthesis
Catalysis Letters Vol. 92, Nos. 1-2, January 2004
M. Kurtz, N. Bauer, Ch. Büscher, H. Wilmer, O. Hinrichsen, R. Becker, St. Rabe, K. Merz, M. Driess, R. A. Fischer and M. Muhler

[ 2003 ]  [ TOP ]

The interaction of water with the oxygen-terminated, polar surface of ZnO           
Kunat, Martin; Gil Girol, Stefanie; Burghaus, Uwe; Wöll, Christof
J. Phys. Chem. B 2003, 107, 14350-14356


Adsorption of hydrogen on the polar O-ZnO surface: a molecular beam study            
Kunat, Martin; Burghaus, Uwe; Wöll, Christof
Phys. Chem. Chem. Phys. 2003 5, 4962-4967


Gold Nanoparticles in SBA-15 Showing Catalytic Activity in CO Oxidation.
Yang, Chia-Min; Kalwei, Martin; Schüth, Ferdi; Chao, Kai-Jun.

Appl. Catal. A: Gen. 2003, 254, 289


Facile synthesis and structural variation of novel heterobimetallic alkali metal-zinc-alkoxide and -siloxide clusters
Merz, Klaus; Block, Stefan; Schoenen, Robert; Driess, Matthias
Dalton Transactions
2003, 17, 3365-3369

Nano-Brass: Bimetallic Copper/Zinc Colloids by a Nonaqueous Organometallic Route Using
[Cu(OCH(Me)CH2NMe2)2] and Et2 Zn as Precursors

Chem. Mater. 2003, 15, 4217-4222
Julia Hambrock, Marie K. Schröter, Alexander Birkner, Christoph Wöll, and Roland A. Fischer

Methanol synthesis over ZnO: A structure-sensitive reaction?
Phys. Chem. Chem. Phys., 5, 4736-4742 (2003)
H. Wilmer, M. Kurtz, K. V. Klementiev, O. P. Tkachenko, W. Grünert, O. Hinrichsen, A. Birkner, S. Rabe,
K. Merz, M. Driess, C. Wöll, M. Muhler


The influence of ZnO on the differential heat of adsorption of CO on Cu catalysts:
a microcalorimetric study

J. Catal. 220, 249-253 (2003)
R. Naumann d´Alnoncourt, M. Kurtz, H. Wilmer, E. Löffler, V. Hagen, J. Shen, M. Muhler


From molecules to metastable solids: solid-state and chemical vapor syntheses (CVS) of nanocrystalline ZnO and Zn
M. Driess, K. Merz, R. Schoenen, S. Rabe, F. E. Kruis, A. Roy, A. Birkner
Comptes Rendus Chimie 6 (2003) 273-281


Low-temperature approach to high surface ZnO nanopowders and a non-aqueous synthesis of ZnO colloids using the single-source precursor [MeZnOSiMe3]4 and related zinc siloxides
J. Mater. Chem. 13 (2003) 1731-1736
J. Hambrock, St. Rabe, K. Merz, A. Birkner, A. Wohlfart, R.A. Fischer and M. Drieß


Growth of copper particles in a Cu/ZnO methanol catalyst
Scripta Materialia, 49, (2003), 527-532
M.C. Carroll, B. Skrotzki, M. Kurtz, M. Muhler, G.Eggeler


Ab initio calculations for the 2s and 2p core level binding energies of atomic Zn, Zn metal and Zn containing molecules
Phys. Chem. Chem. Phys. 2003, 5, 3580
N. Rößler and V. Staemmler

Synthesis and Characterization of Silica MCM-48 as Carrier of Size Confined Nanocrystalline Metal OxidesParticles inside the Pore System Microporous and Mesoporous Materials, 60, 31-42, (2003)
H. Gies, S. Grabowski, M. Bandyopadhyay, W. Grünert, O. P. Tkachenko, K. V. Klementiev, A. Birkner


Growth properties and structural analysis of ZnO films and of Au clusters on ZnO
Appl. Surface Science, 205, 329-335, (2003)
M. Ay, A. Nefedov, H. Zabel

Syntheses and Molecular Structures of Metallasiloxanes Containing Zn3O4 and Zn6Si6O10
Eur. J. Inorg. Chem. 2003, 51-53 K. Merz, H.-M. Hu, S. Rell, and M. Driess Investigations on Cu-particle Coarsening in Cu/ZnO Methanol Catalysts under Reaction Conditions Proc. Materials Week (2002), erschienen als CD-ROM.
M. C. Carroll, B. Skrotzki, M. Kurtz, M. Muhler, G. Eggeler


The interaction of hydrogen with alumina-supported copper catalysts: A TPA/TPD/IER study
J. Catal. 215, 188-198 (2003)
H. Wilmer, T. Genger, O. Hinrichsen

A study on the Metal Organic Chemical Vapor Deposition of Pure Copper Films from Low Cost Copper(II) Dialkylamino-2-propoxides: Tuning the Thermal Properties of the Precursor by Small Variations of the Ligand
Chem. Vap. Dep. (2003) im Druck
R. Becker, A. Devi, J. Weiß, U. Weckenmann, M. Winter, C. Kiener, H.-W. Becker, R. A. Fischer

High Throughput Screening under demanding conditions: Cu/ZnO catalysts in high pressure methanol synthesis as an example
J. Catal., 216, 110-119 (2003)
C. Kiener, M. Kurtz, H. Wilmer, C. Hoffmann, H.-W. Schmidt, J.-D. Grunwaldt, M. Muhler and F. Schüth

An ab initio Study of the Adsorption of CO on a Zn4O4 Cluster with Wurtzite-like Structure
Chem. Phys. 287, 183 (2003)
S. Shi, Ch. Shi, K. Fink, V. Staemmler

Density-functional study of the structure and stability of ZnO surfaces
Physical Review B 67, 035403 (2003)
B. Meyer, D. Marx

First-principles study of CO adsorption on ZnO surfaces
J. Phys.: Matter 15 (2003) L89-L94
B. Meyer, D. Marx

Stabilization of polar ZnO-surfaces: Validating microscopic models by using CO as a probe molecule
Phys. Rev. Lett., 90, 10, p. 106102-1-4 (2003)
V. Staemmler, K. Fink, B. Meyer, D. Marx (Lehrstuhl für Theoretische Chemie) M. Kunat, S. Gil Girol, U. Burghaus, Ch. Wöll (Lehrstuhl für Physikalische Chemie I)

Deactivation of supported copper catalysts for methanol synthesis
Catal. Lett. Vol. 86, Nos. 1-3, (2003)
M. Kurtz, H. Wilmer, Th. Genger, O. Hinrichsen, M. Muhler

A novel preparation of nano-Cu/ZnO by photo-reduction of Cu(OCH(Me)CH2NMe2)2 on ZnO at room temperature
Chem. Comm. (2003) 40-41  
L. Lu, A. Wohlfart, H. Parala, A. Birkner, R. A. Fischer


[ 2002 ]  [ TOP ]
High Throughput Experimentation in Oxidation Catalysis
Topics in Catalysis 21, 55-66 (2002)
F. Schüth, O. Busch, C. Hoffmann, C. Kiener, T. Johann, J. Klein, S. Schunk, W. Strehlau, T. Zech

Synthesis of nano-scale TiO2 particles by a nonhydrolytic approach
Journal of Materials Chemistry 12, 1625 (2002)
H. Parala, A. Devi, R. Bhakta and R.A. Fischer

Synthesis of copper oxide and metal clusters in microporous and meso porous siliceous matrices
Deutsche Zeolith-Tagung, 2002, Frankfurt, Book of Abstracts, KV25(2002)
M. Bandyopadhyay, M.M.K. Wapner, K. Klementiev, O.P. Tkachenko, A. Birkner, W. Grünert, H. Gies

Synthesis of MCM-48 by microwave-hydrothermal process
Deutsche Zeolith-Tagung, 2002, Frankfurt, Book of Abstracts, RR14(2002)
M. Bandyopadhyay, H. Gies

Synthesis and characteriszation of silica MCM-48 as carrier of size confined nanocrystalline metal oxide particles inside the pore system
Nanoporous Materials III, 2002, Ottawa, Ontario, Canada, Book of Abstracts, 83(2002)
H. Gies, S. Grabowski, M. Bandyopadhyay

The Adsorption of Acenes on Rutile TiO2(110): A Multi-Technique Investigation
J. Chem. Phys. 116, 7704 (2002)
S. Reiß, H. Krumm, A. Niklewski, V. Staemmler, Ch. Wöll

A non-aqueous organometallic route to highly monodispersed copper nanoparticles using [Cu(OCH(Me)CH2NMe2)2]
Chem. Comm. (2002) 68-69
J. Hambrock, R. Becker, A. Birkner, J. Weiß, R. A. Fischer

Dynamical changes in Cu/ZnO/Al2O3 catalysts
Catal. Lett. 82 (2002) 117-122
H. Wilmer, O. Hinrichsen
 
[ 2001 ]  [ TOP ]

Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations           
Weigend, Florian; Köhn, Andreas; Hättig, Christof           
The Journal of Chemical Physics
2001, 116 (8), 3175 – 3183

Adsorption of CO on Cr2O3(0 0 0 1)
Surface Science 479 (2001) 11-25
M. Pykavy, V. Staemmler, O. Seiferth and H. -J. Freund


Detailed Study of  Pyridine at the C 1s and N 1s Ionization Thresholds: The Influence of the Vibrational Fine Structure
J. Chem. Phys. 115, 6426 (2001)
C. Kolczewski, R. Püttner, O. Plashkevych, H. Agren, V. Staemmler, M. Martins, G. Snell, A. S. Schlachter, M. Sant’Anna, 
G. Kaindl, L. G. M. Pettersson

Implication of the microstructure of binary Cu/ZnO catalysts for their catalytic activity in methanol synthesis Catal. Lett. 71 (2001) 37 M.M. Günter, T. Ressler, B. Bems, C. Büscher, Th. Genger, O. Hinrichsen, M. Muhler, R. Schlögl Rapid Kinetic Measurements in Ammonia and Methanol Syntheses Ind. Eng. Chem. Res. 40 (2001) 2793-2800 H. Bielawa, M. Kurtz, Th. Genger, O. Hinrichsen Determination of site specific adsorption energies of CO on copper Catal. Lett. 77 (2001) 97 S. Vollmer, G. Witte, Ch. Wöll.
Katalyse maßgeschneidert: Von 3-Wege-Kat bis Brennstoffzelle, 
Tailor-made Catalysts: From the three-way catalyst to the fuel cell 
Rubin 2 (2001) 
W. Grünert, M. Muhler.
Nanocrystalline ZnO from siloxy-substituted single-source precursors  
J. Phys. IV France 11 (2001) 467 
K. Merz, R. Schoenen, M. Driess.
Synthesis of siloxy- and alkoxy-substituted ZnO-aggregates for CVS of ZnO
J. Phys. IV France 11 (2001) 547,
R. Schoenen, K. Merz, S. Rell, M. Driess

New heterometallic copper zinc alkoxides: synthesis, structure properties and pyrolysis to Cu/ZnO composites
J. Organomet. Chem.630 (2001) 253-262
R. Becker, J. Weiss, M. Winter, K. Merz, R. A. Fischer

Chemical vapour deposition of copper using copper(II) alkoxides
J. Phys. IV 2001, 11, 569
R. Becker, J. Weiß, A. Devi, R. A. Fischer

Adsorption dynamics of CO on Cu(110): a molecular beam study
Surf. Sci 474 (2001) 114,
M. Kunat, Ch. Boas, Th. Becker, U. Burghaus, and C. Wöll.
Interaction of hydrogen with metal oxides: The case of the polar ZnO(0001)-surface 
Surf.Sci. 486 (2001) L502, 
Th. Becker, St. Hövel, M. Kunat, Ch. Boas, U. Burghaus, and Ch. Wöll. 


 
[ 2000 ] [ TOP ]


CC2 excitation energy calculations on large molecules using the resolution of the identity approximation
Hättig, Christof; Weigend, Florian

The Journal of Chemical Physics 2000, 113 (13), 5154 – 5161

Die Chemisorption von N2O und H2 zur Oberflächenbestimmung von Kupfer-Katalysatoren
Chemie Ingenieur Technik (72) 1+2 (2000) 94-98 
O. Hinrichsen, Th. Genger, M. Muhler


 Chemisorption of N2O and H2 for the Surface Determination of Copper Catalysts
 Chem. Eng. Technol. 23 (2000) 11
 O. Hinrichsen, Th. Genger, M. Muhler
 
 Probing the Elementary Steps of the Water-Gas Shift Reaction over Cu/ZnO/Al2O3 with Transient Experiments
 Studies in Surface and Cataysis, Elsevier Science B. V., 2000 
 O. Hinrichsen, Th. Genger, M. Muhler
 
 Preparation of nanocrystalline metal oxides and intermetallic phases by controlled thermolysis of organometallic coordination polymers
 Solid State Sciences 2 (2000) 473-488
 M. Rehbein, M. Epple, R. D. Fischer  
Synthesis and Structure of Siloxy-Substituted ZnO Aggregates Having (ZnO)n (n = 2,4) and Zn3O4  Cores, 
Eur. J. Inorg. Chem. (2000) 2517, 
M. Driess, K. Merz, S. Rell. 
Pyridine adsorption on the polar ZnO(0001) surface: Zn termination vs. O termination
J. Chem. Phys. 112 (2000) 3909
S. Hövel, C. Kolczewski, M. Wühn, J. Albers, K. Weiss, V. Staemmler, and Ch. Wöll

A kinetic scanning tunneling microscopy study of iron silicide growth on Si(113)
Surface Science 454–456 (2000) 802–806
M. Kneppe, V. Dorna, P. Kohstall, E. Kot, U. Köhler

Adsorption probability of CO on a metal-oxide: The case of oxygen-terminated ZnO and the influence of defects,
Phys. Rev. B 61 (2000) 4538,
Th. Becker, Ch. Boas, U. Burghaus, and Ch. Wöll.
Adsorption probability of CO on O-ZnO: a molecular beam study,
J.Vac.Sci.Technol A 18, (2000) 1089,
Th. Becker, Ch. Boas, U. Burghaus, and Ch. Wöll.
Adsorption dynamics of CO on the polar surfaces of ZnO, 
J. Chem. Phys. 113 (2000) 6334, 
Th. Becker, M. Kunat, Ch. Boas, U. Burghaus, and Ch. Wöll. 
 
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