Latest Publications from the Research Unit

Li, Y.; Dononelli, W.; Moreira, R.; Risse, T.; Bäumer, M.; Klüner, T.; Moskaleva, L. V., Oxygen-Driven Surface Evolution of Nanoporous Gold: Insights from Ab Initio Molecular Dynamics and Auger Electron Spectroscopy. J. Phys. Chem. C 2018, 122, 5349-5357. DOI


Dononelli, W.; Moskaleva, L. V.; Klüner, T., CO Oxidation over Unsupported Group 11 Metal Catalysts: New Mechanistic Insight from First-Principles. J. Phys. Chem. C 2018. DOI


Feldt, C.D.; Moreira, R.; Meyer, C. P.; Riedel, W.; Risse, T.; Moskaleva, L.; Dononelli, W.; Klüner, T., CO Adsorption on Au(332): Combined Infrared Spectroscopy and Density Functional Theory Study. J. Phys. Chem. C 2018. DOI: 10.1021/acs.jpcc.8b08406


Mahr, C.; Müller-Caspary, K.; Ritz, R.; Simson, M.; Grieb, T.; Schowalter, M.; Krause, F. F.; Lackmann, A.; Soltau, H.; Wittstock, A.; Rosenauer, A., Influence of distortions of recorded diffraction patterns on strain analysis by nano-beam electron diffraction. Ultramicroscopy 2019, 196, 74-82. DOI


Mahr, C.; Schowalter, M.; Mitterbauer, C.; Lackmann, A.; Fitzek, L.; Mehrtens, T.; Wittstock, A.; Rosenauer, A., Nanoporous gold dealloyed from AuAg and AuCu: Comparison of structure and chemical composition, Materialia 2018, 2, 131-137. DOI


Lackmann, A.; Bäumer, M.; Wittstock, G.; Wittstock, A.; Independent control over structure size and residual silver content of nanoporous gold by galvanodynamically controlled dealloying. Nanoscale, 2018, 10, 17166-17173. DOI:


Mahr, C.; Müller-Caspary, K.; Graf, M.; Lackmann, A.; Grieb, T.; Schowalter, M.; Krause, F. F.; Mehrtens, T.; Wittstock, A.; Weissmüller, J.; Rosenauer, A., Measurement of local crystal lattice strain variations in dealloyed nanoporous gold. Mater. Res. Lett. 2018, 6 (1), 84-92.


Lackmann, A.; Mahr, C.; Schowalter, M.; Fitzek, L.; Weissmüller, J.; Rosenauer, A.; Wittstock, A., A comparative study of alcohol oxidation over nanoporous gold in gas and liquid phase. J. Catal. 2017, 353, 99-106. DOI:


Haensch, M.; Behnken, J.; Balboa, L.; Dyck, A.; Wittstock, G., Redox titration of gold and platinum surface oxides at porous microelectrodes. Phys. Chem. Chem. Phys. 2017, 19 (34), 22915-22925. DOI:


Mahr, C.; Kundu, P.; Lackmann, A.; Zanaga, D.; Thiel, K.; Schowalter, M.; Schwan, M.; Bals, S.; Wittstock, A.; Rosenauer, A., Quantitative determination of residual silver distribution in nanoporous gold and its influence on structure and catalytic performance. J. Catal. 2017, 352, 52-58. DOI:


Hoppe, S.; Li, Y.; Moskaleva, L. V.; Muller, S.,How silver segregation stabilizes 1D surface gold oxide: a cluster expansion study combined with ab initio MD simulations. Phys. Chem. Chem. Phys. 2017, 19 (22), 14845-14853. DOI:


Krekeler, T.; Strasser, A. V.; Graf, M.; Wang, K.; Hartig, C.; Ritter, M.; Weissmuller, J., Silver-rich clusters in nanoporous gold. Mater. Res. Lett. 2017, 5 (5), 314-321. DOI:


Graf, M.; Roschning, B.; Weissmuller, J., Nanoporous Gold by Alloy Corrosion: Method-Structure-Property Relationships. J. Electrochem. Soc. 2017, 164 (4), C194-C200. DOI:


Books and Reviews

A. Wittstock; J. Biener; J. Erlebacher; M. Bäumer, Nanoporous Gold: from an Ancient Technology to a Novel Material. 1 ed.; RSC: 2012; Vol. 1, 250 pages, Doi: 10.1039/9781849735285-00001

A. Wittstock; A. Wichmann; M. Bäumer, Nanoporous Gold as a Platform for a Building Block Catalyst. ACS Catalysis 2012, 2, 2199-2215, Doi: 10.1021/cs300231u

A. Wittstock, M. Bäumer, Catalysis by Unsupported Skeletal Gold Catalysts. Accounts Chem. Res. 2014, 47, 731-739, Doi:10.1021/ar400202p


Heterogeneous catalysis with nanoporous gold

A. Wittstock, V. Zielasek, J. Biener, C. M. Friend, M. Bäumer, Nanoporous Gold Catalysts for Selective Gas-Phase Oxidative Coupling of Methanol at Low Temperature, Science 2010, 327, 319-322, Doi: 10.1126/science.1183591

V. Zielasek, B. Jürgens, C. Schulz, J. Biener, M. M. Biener, A. V. Hamza, M. Bäumer, Gold catalysts: Nanoporous gold foams, Angew. Chem.-Int. Edit. 2006, 45, 8241-8244, Doi: 10.1002/anie.200602484

A. Wittstock, B. Neumann, A. Schaefer, K. Dumbuya, C. Kübel, M. M. Biener, V. Zielasek, H.-P. Steinrück, J. M. Gottfried, J. Biener, A. Hamza, M. Bäumer, Nanoporous Au: An Unsupported Pure Gold Catalyst? J. Phys. Chem. C, 2009, 113, 5593-5600, Doi: 10.1021/jp808185v

K.M Kosuda, A. Wittstock, C.M. Friend, M. Baumer, Oxygen-Mediated Coupling of Alcohols over Nanoporous Gold Catalysts at Ambient Pressures, Angew. Chem.-Int. Edit. 2012, 51 1698-1701, Doi: 10.1002/anie.201107178

A. Wichmann, A. Wittstock, K. Frank, M. Biener, B. Neumann, L. Mädler, J. Biener, A. Rosenauer, M. Bäumer, Maximizing Activity and Stability by Turning Gold Catalysis Upside Down: Oxide Particles on Nanoporous Gold. ChemCatChem 2013, 5 (7), 2037-2043, Doi:


DFT studies of oxidation reactions on npAu

L. V. Moskaleva, V. Zielasek, T. Klüner, K. M. Neyman, M. Bäumer; CO oxidation by co-adsorbed atomic O on the Au(321) surface with Ag impurities: A mechanistic study from first-principles calculations. Chem. Phys. Lett., 2012, 525-526, 87, Doi: 

L. V. Moskaleva, S. Röhe, A. Wittstock, V. Zielasek, T. Klüner, K. M. Neyman; Silver residues as a possible key to a remarkable oxidative catalytic activity of nanoporous gold. Phys. Chem. Chem. Phys. 2011, 13, 4529-4539, Doi:

W.-L- Yim, T. Nowitzki, M. Necke, H. Schnars, P. Nickhut, J. Biener, M. Biener, V. Zielasek, K. Al-Shamery, T. Klüner, M. Bäumer; Universal phenomena of CO adsorption on gold surfaces with low-coordinated sites. J. Phys. Chem. C 2007, 111, 445, Doi:


Electrocapillarity, Actuation/surface stress

J. Biener, A. Wittstock, L. Zepeda-Ruiz, M.M. Biener, D. Kramer, R.N. Viswanath, J. Weissmüller, M. Bäumer, A.V. Hamza, Surface chemistry driven actuation in nanoporous gold, Nature Materials, 2009, 8, 47-51, Doi:


SECM investigation of catalytic layers

M. Burchardt, M. Träuble, G. Wittstock*; Digital Simulation of SECM Approach Curves to Enzyme Films with Michaelis-Menten Kinetics. Anal. Chem. 2009, 81, 4857-4863.

W. Nogala, K. Szot, M. Burchardt, F. Roelfs, J. Rogalski, M. Opallo, G. Wittstock*; Feedback mode SECM study of laccase and bilirubin oxidase immobilised in a sol‑gel processed silicate film. Analyst 2010, 135, 2051-2058.

C. Nunes Kirchner, M. Träuble, G. Wittstock*; Study of Diffusion and Reaction in Microbead Agglomerates. Anal. Chem. 2010, 82, 2626-2635.


Surface Chemistry of nanostructured Au and bimetallic surfaces

T. Risse, S. Shaikhutdinov, N. Nilius, M. Sterrer, H.-J. Freund: Gold Supported on Thin Oxide Films: From Single Atoms to Nanoparticles,  Acc. Chem. Res. 2008, 41, 949-956.

M. Yulikov, M. Sterrer, M. Heyde, H. P. Rust, T. Risse, H.-J. Freund, G. Pacchioni, A. Scagnelli: Binding of single gold atoms on thin MgO(001) films,  Phys. Rev. Lett. 2006, 96, 146804.

M. Sterrer, M. Yulikov, E. Fischbach, M. Heyde, H. P. Rust, G. Pacchioni, T. Risse, H.-J. Freund: Interaction of gold clusters with color centers on MgO(001) films, Angew. Chem., Int. Ed. 2006, 45, 2630-2632.

A. F. Carlsson, M. Bäumer, T. Risse, H.-J. Freund: Surface structure of Co-Pd bimetallic particles supported on Al2O3 thin films studied using infrared reflection absorption spectroscopy of CO,  J. Chem. Phys. 2003, 119, 10885-10894.

M. P. Felicissimo, O. N. Martyanov, T. Risse, H.-J. Freund: Characterization of a Pd-Fe bimetallic model catalyst, Surf. Sci. 2007, 601, 2105-2116.


Transmission electron microscopy (scanning techniques and quantification)

A. Rosenauer, K. Gries, K. Müller, A. Pretorius, M. Schowalter, A. Avramescu, K. Engl, S. Lutgen:
Measurement of specimen thickness and composition in AlxGa1-xN/GaN using high-angle annular dark field images, Ultramicroscopy, 2009, 109, 1171-1182

A. Rosenauer, T. Mehrtens, K. Müller, K. Gries, M. Schowalter, P.V. Satyam, S. Bley, C. Tessaredk, D. Hommel, K. Sebald, M. Seyfried, J. Gutowski, A. Avramescu, K. Engl, S. Lutgen, Composition mapping in InGaN by scanning transmission electron microscopy Ultramicroscopy, 2011, 111, 1316-1327 K. Müller, A. Rosenauer, M. Schowalter, J. Zweck, R. Fritz, K. Volz, Strain Measurement in Semiconductor Heterostructures by Scanning Transmission Electron Microscopy: Microscopy and Microanalysis, 2012, 18, 995-1009


Ab-initio based quantitative description of binary metal surfaces as function of the environment

D. Lerch, O. Wieckhorst, G.L.W. Hart, R. Forcade, and S. Müller, UNCLE: a code for constructing cluster expansions for arbitrary lattices with minimal user input, Modelling Simul. Mater. Sci. Eng. 2009, 17, 05503

P. Welker, O. Wieckhorst, T.C. Kerscher, and S. Müller, Predicting the segregation profile of the Pt25Rh75(100) surface from first-principles, J. Phys.: Condens. Matter 2010, 22, 384203

S. Müller, M. Stöhr, O. Wieckhorst, Structure and stability of binary alloy surfaces: segregation, relaxation and ordering from firstprinciples, Appl. Phys. A 2006, 82, 419

O. Wieckhorst, S. Müller, L. Hammer, and K. Heinz, First-principles based phase diagram of fully relaxed binary alloy surfaces. Phys. Rev. Lett. 2004, 92, 195503.

M. Stöhr, R. Podloucky, and S. Müller, Ab-initio phase diagram of oxygen adsorption on W(110). J. Phys.: Condens. Matter 2009, 21, 134017.

D. Lerch. O. Wieckhorst, L. Hammer, K. Heinz, and S. Müller, Adsorbate Cluster Expansion for an Arbitrary Number of Inequivalent Sites. Phys. Rev. B 2008, 78, 121405(R).