Nanocatalysis and Femtochemistry - Publications

2014

S. M. Lang, T. M. Bernhardt, M. Kristic, V. Bonacic-Koutecky:
Revealing the origin of the selectivity and activity of Ru cluster catalysts for fuel cell feed gas purification: A gas phase approach,
Angew. Chem. Int. Ed., in press.

S. M. Lang, S. U. Förtig, T. M. Bernhardt, M. Kristic, V. Bonacic-Koutecky:
Gas phase synthesis and structure of Wade-type ruthenium carbonyl and hydrido carbonyl clusters,
J. Phys. Chem. A, ASAP article.

M. E. Vaida, T. M. Bernhardt:
Surface-aligned femtochemistry: Molecular reaction dynamics on oxide surfaces,
in "Ultrafast phenomena in Molecular Sciences", Ed.: R. de Nalda and L. Bañares,
Springer Verlag, Berlin (2014), p. 231.

2013

S. M. Lang, I. Fleischer, T. M. Bernhardt, R. N. Barnett, U. Landman:
Dimensionality dependent water splitting mechanism on free manganese oxide clusters,
Nano Lett. 113, 5549 (2013).

S. M. Lang, T. M. Bernhardt:
Gas phase model systems for catalysis,
Bunsen-Magazin (November 2013), p. 283.

S. M. Lang, A. Frank, T. M. Bernhardt:
Composition and size dependent methane dehydrogenation on binary gold-palladium clusters,
Int. J. Mass Spectrom. 354-355, 365 (2013).

S. M. Lang, A. Frank, T. M. Bernhardt:
Comparison of methane activation and catalytic ethylene formation on free gold and palladium dimer cations: Product binding determines the catalytic turn-over,
Catal. Sci. Technol. 3, 2926 (2013).

S. M. Lang, A. Frank, T. M. Bernhardt:
Activation and catalytic dehydrogenation of methane on small Pdx+ and PdxO+ clusters,
J. Phys. Chem. C 117, 9791 (2013).

I. Fleischer, D. M. Popolan, M. Kristic, V. Bonacic-Koutecky, T. M. Bernhardt:
Composition dependent selectivity in the coadsorption of H2O and CO on pure and binary silver-gold clusters,
Chem. Phys. Lett. 565, 74 (2013).

S. M. Lang, A. Frank, I. Fischer, T. M. Bernhardt:
Is gold actor or spectator in the reaction of small AunPdm+ cluster with O2?
Eur. Phys. J. D 67, 19 (2013).

2012

S. M. Lang, I. Fleischer, T. M. Bernhardt, R. Barnett, U. Landman:
Pd6O4+: An oxidation resistant yet highly catalytically active nano-oxide cluster,
J. Am. Chem. Soc. 134, 20654 (2012). DOI:10.1021/ja308189w.

M. E. Vaida, T. M. Bernhardt:
Surface-aligned femtochemistry: Photoinduced reaction dynamics of CH3I and CH3Br on MgO(100),
Faraday Disc. 157, 437 (2012). DOI: 10.1039/C2FD20104F.

S. M. Lang, T. M. Bernhardt:
Gas phase metal cluster model systems for heterogeneous catalysis,
Phys. Chem. Chem. Phys. 14, 9255 (2012). DOI: 10.1039/C2CP40660H.

V. Bonacic-Koutecky, T. M. Bernhardt:
Structure and reactivity of small particles: From clusters to aerosols,
Phys. Chem. Chem. Phys. 14, 9252 (2012). DOI: 10.1039/C2CP90066a.

S. M. Lang, T. M. Bernhardt
Reactions of carbon monoxide with free palladium oxide clusters: Strongly size dependent competition between adsorption and combustion,
Phys. Chem. Chem. Phys. 14, (2012). DOI: 10.1039/C2CP23976K.

2011

S. M. Lang, T. M. Bernhardt
Methane activation and partial oxidation on free gold and palladium clusters: Mechanistic insights into cooperative and highly selective cluster catalysis,
Faraday Disc. 152, 337 (2011), DOI: 10.1039/C1FD00025J.

M. E. Vaida, R. Tchitnga, T. M. Bernhardt:
Femtosecond time-resolved photodissociation dynamics of methyl halide molecules on ultrathin gold films,
Beilstein J. Nanotechnol. 2, 618 (2011). DOI: 10.3762/bjnano.2.65.

M. E. Vaida, T. M. Bernhardt:
Femtosecond two photon photoemission spectroscopy of methyl iodide adsorbed on a gold surface,
AIP Conf. Proc. 1387, 147 (2011). DOI: 10.1063/1.3647066.

D. M. Popolan, T. M. Bernhardt:
Interaction of Aun+ and Agn+ with CH3Br: Thermal and photoinduced reaction pathways,
Eur. Phys. J. D 63, 251 (2011). DOI: 10.1140/epjd/e2010-10588-9.

S. M. Lang, T. M. Bernhardt, R. N. Barnett, U. Landman:
Temperature-tuneable selective methane catalysis on Au2+: From cryogenic partial oxidation yielding formaldehyde to cold ethylene production,
J. Phys. Chem. C 115, 6788 (2011). DOI: 10.1021/jp200160r.

D. M. Popolan, T. M. Bernhardt:
CO oxidation by silver and gold cluster cations: Identification of different active oxygen species,
J. Chem. Phys. 134, 091102 (2011). DOI: 10.1063/1.3563631.

D. M. Popolan, M. Nößler, R. Mitric, T. M. Bernhardt, V. Bonacic-Koutecky:
Tuning cluster reactivity by charge state and composition: Experimental and theoretical investigation of CO binding energies to AgnAum+/- (n + m = 3),
J. Phys. Chem. A, 115, 951 (2011). DOI: 10.1021/ip106884p.

2010

M. E. Vaida, T. M. Bernhardt:
Surface pump-probe femtosecond laser mass spectrometry: Time-, mass-, and velocity-resolved detection of surface reaction dynamics,
Rev. Sci. Instrum. 81, 104103 (2010). DOI: 10.1063/1.3488098

M. E. Vaida, T. Gleitsmann, R. Tchitnga, T. M. Bernhardt:
Femtosecond-laser photoemission and photodesorption from magnesia supported gold clusters,
Phys. Status Solidi B 247, 1001 (2010). DOI: 10.1002/pssb.200945518

D. M. Popolan, M. Nößler, R. Mitric, T. M. Bernhardt, V. Bonacic-Koutecky:
Composition dependent adsorption of multiple CO molecules on binary silver-gold clusters AgnAum+ (n + m = 5): Theory and experiment,
Phys. Chem. Chem. Phys. 12, 7865 (2010). DOI: 10.1039/b924022e

M. E. Vaida, T. M. Bernhardt, C. Barth, F. Esch, U. Heiz, U. Landman:
Ultrathin magnesia films as support for molecules and metal clusters: Tuning reactivity by thickness and composition,
Phys. Status Solidi B 247, 1139 (2010). DOI: 10.1002/pssb.200945579

S. M. Lang, T. M. Bernhardt, R. N. Barnett, U. Landman:
Size dependent binding energies of methane to small gold clusters,
ChemPhysChem 11, 1570 (2010). DOI: 10.1002/cphc.200900844

M. E. Vaida, T. M. Bernhardt:
Surface-aligned femtochemistry: Real-time dynamics of photoinduced I2 formation from CD3I on MgO(100),
ChemPhysChem 11, 804 (2010). DOI: 10.1002/cphc.200900920

S. M. Lang, T. M. Bernhardt, R. N. Barnett, U. Landman:
Methanaktivierung und katalytische Ethylenbildung an freiem Au2+,
Angew. Chem. 122, 933 (2010). DOI: 10.1002/ange.200905643
Methane activation and catalytic ethylene formation on free Au2+,
Angew. Chem. Int. Ed. 49, 980 (2010). DOI: 10.1002/anie.200905643

See also the Highlight in Angewandte Chemie by D. Schröder:
Gasphasenaktivierung von Methan durch Metallkationen,
Angew. Chem. 122, 862 (2010). DOI: 10.1002/ange.200906518
Activation of Methane by Gaseous Metal Ions,
Angew. Chem. Int. Ed. 49, 850 (2010). DOI: 10.1002/anie.200906518
and the corresponding press release:
Goldige Pärchen - Katalytische Dimere aus Goldatomen machen Ethylen aus Methan
Golden pairs - Catalytic dimers of gold make ethylene from methane

2009

S. M. Lang, T. M. Bernhardt:
Cooperative and competitive coadsorption of H2, O2, and N2 on mass-selected gold cluster ions Aux+ (x = 3,5),
J. Chem. Phys. 131, 024310 (2009). DOI: 10.1063/1.3168396

S. M. Lang, T. M. Bernhardt:
Reactions of free gold cluster cations with H2O, CH3Cl and mixtures thereof,
Int. J. Mass. Spectrom. 286, 39 (2009). DOI: 10.1016/j.ijms.2009.06.005

S. M. Lang, T. M. Bernhardt, R. N. Barnett, B. Yoon, U. Landman:
Hydrogen promoted oxygen activation by free gold cluster cations,
J. Am. Chem. Soc. 131, 8939 (2009). DOI: 10.1021/ja9022368

M. E. Vaida, T. Gleitsmann, R. Tchitnga, T. M. Bernhardt:
Femtosecond-laser photoemission spectroscopy of Mo(100) covered by ultrathin MgO(100) films of variable thickness,
J. Phys. Chem. C 113, 10264 (2009). DOI: 10.1021/jp902695h

S. M. Lang, T. M. Bernhardt:
Reactions of small gold cluster cations with propylene, methane and hydrogen: Permissive and competitive coadsorption effects,
Eur. Phys. J. D 52, 139 (2009). DOI: 10.1140/epjd/e2009-00070-4

M. E. Vaida, T. M. Bernhardt:
Adsorption and photodissociation dynamics of methyl iodide on magnesia supported gold nano-particles.
Eur. Phys. J. D 52, 119 (2009). DOI: 10.1140/epjd/e2009-00064-2

T. M. Bernhardt, J. Hagen, S. M. Lang, D. M. Popolan, L. D. Socaciu-Siebert, L. Wöste:
Binding energies of O2 and CO to small anionic noble metal clusters from temperature dependent reaction kinetics measurements,
J. Phys. Chem. A 113, 2724 (2009). DOI: 10.1021/jp810055q

D. M. Popolan, T. M. Bernhardt:
Formation and femtosecond photodissociation of Aun+ and Agn+ complexes with benzene and carbon monoxide,
Chem. Phys. Lett., 470, 44 (2009). DOI: 10.1016/j.cplett.2009.01.036
Chem. Phys. Lett., 474, 239 (2009). DOI: 10.1016/j.cplett.2009.04.023

2008

M. E. Vaida, P. E. Hindelang, T. M Bernhardt:
Femtosecond real-time probing of transition state dynamics in a surface photoreaction: Methyl desorption from CH3I on MgO(100),
J. Chem. Phys. 129, 011105 (2008). DOI: 10.1063/1.2953578

2007

T. Gleitsmann, M. E. Vaida, T. M. Bernhardt, V. Bonacic-Koutecky, C. Bürgel, A. E. Kuznetsov, R. Mitric:
Mass-selected Ag3 clusters soft-landed on magnesia: Two photon photoemission and first-principles simulations,
Eur. Phys. J. D 45, 477 (2007). DOI: 10.1140/epjd/e2007-00257-7

J. Hagen, L. D. Socaciu-Siebert, J. Le Roux, D. Popolan, S. Vajda, T. M. Bernhardt, L. Wöste:
Charge transfer initiated nitroxyl chemistry on free silver cluster anions Ag2-5-: Size effects and magic complexes,
Int. J. Mass Spectrom. 261, 152 (2007). DOI: 10.1016/j.ijms.2006.08.008

A. Lindinger, V. Bonacic-Koutecky, R. Mitric, D. Tannor, C. P. Koch, V. Engel, T. M. Bernhardt, J. Jortner, A. Mirabal, L. Wöste
Analysis and control of small isolated molecular systems,
in ’Analysis and control of ultrafast photoinduced reactions’, edited by O. Kühn and L. Wöste, Springer, Berlin (2007).

S. M. Lang, D. M. Popolan, T. M. Bernhardt:
Chemical reactivity and catalytic properties of size-selected gas phase metal clusters,
in ‘The chemical physics of solid surfaces (Vol. 12): Atomic clusters: From gas phase to deposited’, edited by D. P. Woodruff, Elsevier (2007).
DOI: 10.1016/S1571-0785(07)12002-2

T. M. Bernhardt, U. Heiz, U. Landman:
Chemical and catalytic properties of size-selected free and deposited clusters,
in ‘Nanocatalysis’, edited by U. Heiz und U. Landman, Springer, Berlin (2007).

2006

T. Gleitsmann, T. M. Bernhardt, L. Wöste:
Luminescence properties of femtosecond-laser-activated silver oxide nanoparticles embedded in a biopolymer matrix,
Appl. Phys. A 82, 125 (2006). DOI: 10.1007/s00339-005-3372-4

V. Bonacic-Koutecky, R. Mitric, T. M. Bernhardt, L. Wöste, J. Jortner:
Analysis and control of ultrafast dynamics in atomic clusters: Theory and Experiment,
Adv. Chem. Phys. 132, 179 (2006).

2005

L. D. Socaciu-Siebert,. J. Hagen, J. Le Roux, D. Popolan, M. Vaida, S. Vajda, T. M. Bernhardt, L. Wöste:
Ultrafast nuclear dynamics induced by photodetachment of Ag2- and Ag2O2-: Oxygen desorption from a molecular silver surface,
Phys. Chem. Chem. Phys. 7, 2706 (2005). DOI: 10.1039/b506034f

T. M. Bernhardt, L. D. Socaciu-Siebert, J. Hagen, L. Wöste:
Size and composition dependence in CO oxidation reaction on free gold, silver, and binary silver-gold cluster anions,
Appl. Catal. A 291, 170 (2005). DOI: 110.1016/j.apcata.2005.02.041

T. M. Bernhardt:
Gas phase reaction kinetics of small gold and silver clusters,
Int. J. Mass Spectrom. 243, 1 (2005). DOI: 10.1016/j.ijms.2004.12.015

T. M. Bernhardt, J. Hagen, L. D. Socaciu, R. Mitric, A. Heidenreich, J. Le Roux, D. Popolan, M. Vaida, L. Wöste, V. Bonacic-Koutecky, J. Jortner:
Femtosecond time-resolved geometry relaxation and ultrafast intramolecular energy redistribution in Ag2Au,
ChemPhysChem 6, 243 (2005). DOI: 10.1002/cphc.200400454

T. M. Bernhardt, L. D. Socaciu, J. Hagen, D. Popolan, J. Le Roux, U. Heiz, L. Wöste:
Catalysis with small free noble metal clusters,
in ‘Clusters and Nano-Assemblies’, eds. P. Jena, S. N. Khanna, B. K. Rao, World Scientific, Singapore (2005).

2004

A. Lindinger, J. Hagen, L. D. Socaciu, T. M. Bernhardt, L. Wöste, D. Duft, T. Leisner:
Time resolved explosion dynamics of H2O droplets induced by femtosecond laser pulses,
Appl. Opt. 43, 5263 (2004). DOI: http://www.opticsinfobase.org/abstract.cfm?URI=ao-43-27-5263

T. Gleitsmann, B. Stegemann, T. M. Bernhardt:
Femtosecond laser activated fluorescence from silver oxide nano-particles,
Appl. Phys. Lett. 84, 4050 (2004). DOI: 10.1063/1.1751613

J. Hagen, L. D. Socaciu, J. Le Roux, D. Popolan, T. M. Bernhardt, L. Wöste, R. Mitric, H. Noack, V. Bonacic-Koutecky:
Cooperative effects in the activation of molecular oxygen by anionic silver clusters,
J. Am. Chem. Soc. 126, 3442 (2004). DOI: 10.1021/ja.038948r

L. D. Socaciu, J. Hagen, J. Le Roux, D. Popolan, T. M. Bernhardt, L. Wöste, S. Vajda:
Strongly cluster size dependent reaction behavior of CO with O2 on free silver cluster anions,
J. Chem. Phys. 120, 2078 (2004). DOI: 10.1063/1.1644103

2003

J. Hagen, L. D. Socaciu, U. Heiz, T. M. Bernhardt, L. Wöste:
Size dependent reaction kinetics of small gold clusters with carbon monoxide: Influence of internal degrees of freedom and carbonyl complex stability,
Eur. Phys. J. D 24, 327 (2003). DOI: 10.1140/epjd/e2003-00185-6

L. D. Socaciu, J. Hagen, T. M. Bernhardt, L. Wöste, U. Heiz, H. Häkkinen, U. Landman:
Catalytic CO oxidation by free Au2-: Experiment and theory,
J. Am. Chem. Soc. 125, 10437 (2003). DOI: 10.1021/ja027926m

T. M. Bernhardt, B. Stegemann, B. Kaiser, K. Rademann:
Kristalline Strukturen aus Sb4-Molekülen in dünnen Antimonfilmen,
Angew. Chem. 115, 209 (2003); DOI: 10.1002/ange.200390045
Crystalline structures of Sb4 molecules in antimony thin films,
Angew. Chem. Int. Ed. 42, 199 (2003). DOI: 10.1002/anie.200390077

2002

J. Hagen, L. D. Socaciu, M. Eijazyfer, U. Heiz, T. M. Bernhardt, L. Wöste:
Coadsorption of CO and O2 on small free gold cluster anions at cryogenic temperatures: Model complexes for catalytic CO oxidation,
Phys. Chem. Chem. Phys. 4, 1707 (2002). DOI: 10.1039/b201236g

B. Stegemann, T. M. Bernhardt, B. Kaiser, K. Rademann:
STM investigation of surface alloy formation and thin film growth by Sb4 deposition on Au(111),
Surf. Sci. 511, 153 (2002). DOI: 10.1016/S0039-6028(02)01556-X

T. M. Bernhardt, B. Kaiser, K. Rademann:
Unimolecular decomposition of antimony and bismuth cluster ions studied by surface collision induced dissociation mass spectrometry,
Phys. Chem. Chem. Phys. 4, 1192 (2002). DOI: 10.1039/b110194c

2001

L. D. Socaciu, J. Hagen, U. Heiz, T. M. Bernhardt, T. Leisner, L. Wöste:
Reaction mechanism for the oxidation of free silver dimers,
Chem. Phys. Lett. 340, 282 (2001). DOI: 10.1016/S0009-2614(01)00447-X

D. H. Paik, T. M. Bernhardt, N. J. Kim, A. H. Zewail:
Femtochemistry of mass-selected negative-ion clusters of dioxygen: Charge-transfer and solvation dynamics,
J. Chem. Phys. 115, 612 (2001). DOI: 10.1063/1.1384549

1999

D. Zhong, T. M. Bernhardt, A. H. Zewail:
Femtosecond real-time probing of reactions. 24. Time, velocity and orientation mapping of the dynamics of dative bonding in bimolecular electron transfer reactions,
J. Phys. Chem. A 103, 10093 (1999). DOI: 10.1021/jp9919359

B. Kaiser, T. M. Bernhardt, B. Stegemann, J. Opitz, K. Rademann:
Bimodal distribution in the fragmentation behavior of small antimony clusters Sbx+
(x = 3-12) scattered from a highly oriented pyrolitic graphite surface,

Phys. Rev. Lett. 83, 2918 (1999). DOI: 10.1103/PhysRevLett.83.2918

B. Kaiser, T. M. Bernhardt, B. Stegemann, J. Opitz, K. Rademann:
Interaction of mass selected antimony clusters with HOPG,
Nucl. Instrum. and Meth. in Phys. Res. B 157, 155 (1999). DOI: 10.1016/S0168-583X(99)00411-5

B. Kaiser, T. M. Bernhardt, M. Kinne, K. Rademann, A. Heidenreich:
Formation, stability, and structures of antimony oxide clusters ions,
J. Chem. Phys. 110, 1437 (1999). DOI: 10.1063/1.478019

1998

D. Zhong, E. W.-G. Diau, T. M. Bernhardt, S. De Feyter, J. D. Roberts, A. H. Zewail:
Femtosecond dynamics of valence-bond isomers of azines: Transition states and conical intersections,
Chem. Phys. Lett. 298, 129 (1998). DOI: 10.1016/S0009-2614(98)01160-9

B. Kaiser, T. M. Bernhardt, M. Kinne, K. Rademann:
Formation of antimony oxide clusters in a molecular beam,
Int. J. Mass Spectrom. 177, L5 (1998). DOI: 10.1016/S1387-3806(98)14026-5

T. M. Bernhardt, B. Kaiser, K. Rademann:
Formation of superperiodic patterns on highly oriented pyrolytic graphite by manipulation of nanosized graphite sheets with the STM tip,
Surf. Sci. 408, 86 (1998). DOI: 10.1016/S0039-6028(98)00152-6

B. Kaiser, T. M. Bernhardt, K. Rademann:
Deposition of size-selected clusters at hyperthermal energies investigated by STM,
Appl. Phys. A 66, S711 (1998). DOI: 10.1007/s003390051227

1997

M. Kinne, T. M. Bernhardt, B. Kaiser, K. Rademann:
Formation and stability of antimony and bismuth oxide clusters: A mass spectrometric investigation,
Int. J. Mass Spectrom. Ion Proc. 167/168, 161 (1997).

B. Kaiser, T. M. Bernhardt, K. Rademann:
Scattering and deposition of mass-selected antimony clusters,
Nucl. Instrum. and Meth. in Phys. Res. B 125, 223 (1997). DOI: 10.1016/S0168-583X(96)00927-5

T. M. Bernhardt, B. Kaiser, K. Rademann:
Fragmentation of clusters induced by collision with a solid surface: comparison of antimony and bismuth cluster ions,
Z. Phys. D 40, 327 (1997). DOI: 10.1007/s004600050219

M. Kinne, T. M. Bernhardt, B. Kaiser, K. Rademann:
Formation of antimony oxide clusters by gas aggregation,
Z. Phys. D 40, 105 (1997). DOI: 10.1007/s004600050169

1996

T. M. Bernhardt, B. Kaiser, K. Rademann:
Fragmentation of charged antimony clusters induced by collision with a solid surface,
Z. Phys. Chem. 195, 273 (1996).