Surface Chemistry Group at NDSU

<%@LANGUAGE="JAVASCRIPT" CODEPAGE="65001"%> Surface Chemistry Group at NDSU

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NDSU Chemistry
NDSU

Topics List of Publications

[ Highlights ] [ Reprints ]
[ graphene ] [ graphene oxide ] [ silicatene ] [ CNTs ]
[ inorganic nanotubes ] [ nanoparticles ]
[ model catalysts - metal clusters ]
[ metals ] [ metal oxides ] [ semiconductors/silica ] [ alloys ]
[ zeolites ] [ Theory ]
[ reviews / book chapters ] [ books ]
[ Chronological ]

Chronological [ 1990-2016 ] - PDF
[ Coauthors / colleagues - 2016 ]

Please note that this is a private web site NOT located at NDSU.
Names highlighted in blue are undergraduate coauthors.

Theory

DFT



76	*Adsorption kinetics and dynamics of CO, NO, and CO2 on reduced CaO(001),* Journal of Physical Chemistry C, 112 (2008) 7390-7400 by E. Kadossov, U. Burghaus

Monte Carlo


88	*Multi-site kinetic Monte Carlo simulations of thermal desorption spectroscopy data,* Surface Science 603 (2009) 2494-2501 by E. Kadossov, U. Burghaus



55	*A Practical Guide to Monte Carlo Simulations and Classical Molecular* *Dynamics Simulations -An Example Book-,* Nova Science Publishers, textbook, (2006) ISBN: 1-59454-531-6 by U. Burghaus (Dept.of Chemistry, North Dakota State University), J. Stephan (Fraunhofer Microelectronics Alliance, Berlin, Germany), L. Vattuone( Struttura della Materia at the Universityof Genova, Italy), J.M. Rogowska ( Institute of Experimental Physics,University of Wroc?aw, Poland ). www.novapublishers.com http://novapublishers.com/catalog/advanced_search_result.php?keywords=burghaus info Program Source Codes (ASCII 180 kByte) Program Windows Versions: setup.exe MCS.001 MCS.002 (MCS) setup2.exe KMCS.001 KMCS.002 (KMCS) setup3.exe FR.001 FR.002 (KMCS fractals)



37	*Kinetic Monte Carlo Simulation of adsorption probabilities: the* *auto-catalytic adsorption phenomenon,* Journal of Vacuum Science and Technology A21 (2003) 1284-1289, *by J. Stephan, U. Burghaus.**



32	*Effect of defects and pre-adsorbates on adsorption probabilities: a Monte Carlo Simulation point of view* Surface Science 507-510 (2002) 736-741, by J. Stephan, U. Burghaus*



30	*Monte Carlo Simulation of the adsorbate assisted adsorption in the case of CO/ZnO,* Surface Review and Letters 8 (2001) 353-360, by U. Burghaus.


25	*Adsorbate assisted adsorption: a Monte Carlo simulation,* Proceedings of the 9th International Symposium on Heterogeneous Catalysis, Varna (Bulgaria), (2000) *by U.Burghaus, L. Vattuone, and I. Kobal.**

Theory-Experimental Collaborations



39	*Determination of lateral Xe-Xe potential in a single xenon layer adsorbed on Cu(110)* *from surface phonon dispersion measurements,* Phyical Review B 68 (2003) 075403--075403-8 by Ch. Boas, M. Kunat, U. Burghaus, B. Gumhalter, Ch. Wöll



36	*Stabilization of polar ZnO-surfaces: Validating microscopic models by using CO as a probe molecule,* Physical Review Letters 90(2003) 106102--106102-4, by V. Staemmler, K. Fink, B. Meyer, D. Marx, M. Kunat, S.Gil Girol, U. Burghaus, Ch. Wöll.


15	*Carbon-13 Kinetic Isotope Effects in the Catalytic Oxidation of CO over Ag,* Journal of Physical Chemistry B 102 (1998) 6787-6791, by I. Kobal, U. Burghaus, M. Senegacnik, and N. Ogrinc.


15	*Carbon-13 Kinetic Isotope Effects in the Catalytic Oxidation of CO over Ag,* Journal of Physical Chemistry B 102 (1998) 6787-6791, by I. Kobal, U. Burghaus, M. Senegacnik, and N. Ogrinc.



56	*CO2 adsorption on the bimetallic Zn-on-Cu(110) system,* by S. Funk, B. Hokkanen, U. Burghaus (NDSU) G. Bozzolo (Ohio Aerospace Institute and NASA Glenn Research Center) J.E. Garcés (Centro Atómico Bariloche, CNEA, 8400 Bariloche, Argentina) Surface Science 600 (2006) 1870-1876



81	*Adsorption kinetics and dynamics of CO and CO 2 on FeOx nanoclusters: DFT and molecular beam scattering,* ACS proceedings division of fuel chemistry, ISSN 1521-4648 53 (2008) 855-856, by E. Kadossov, U. Burghaus, M.R. Hoffmann