Russian-German Seminar on Catalysis
“Bridging the Gap between Model and Real Catalysis”
July 9-12, 2007, the tourist center “Stik Travel” (Altai Mountains), Russia

 10.00 Registration

 14.30 Opening Ceremony

14-40    PL-1
Zilberberg I.L.
OXYGEN ELECTRONIC STATES ON THE SURFACE OF CATALYSTS: QUANTUM-CHEMICAL VIEW
Boreskov Institute of Catalysis (Novosibirsk, Russia)

15-20    PL-2
Shaikhutdinov S.K.
TOWARDS AN UNDERSTANDING OF STRUCTURE-REACTIVITY RELATIONSHIPS IN CATALYSIS: MODEL STUDIES
Fritz-Haber-Institut der Max-Planck-Gesellschaft (Berlin, Germany)

16-30    OP-1
Yudanov I.V.¹, Neyman K.M.², Rösch N.³
QUANTUM CHEMICAL MODELING OF NANOSIZED TRANSITION METAL CATALYSTS: DENSITY FUNCTIONAL CALCULATIONS OF PD AND CU NANOCLUSTERS
¹Boreskov Institute of Catalysis (Novosibirsk, Russia)
²Universitat de Barcelona (Barcelona, Spain)
³Technische Universität München (Munich, Germany)
Speaker: Yudanov Ilya Valerievich

16-50    OP-2
Martyanov O.N.¹, Risse T.², Freund H.-J.²
ON THE IMPACT OF Pd ON THE MAGNETIC PROPERTIES OF Co PARTICLES ON A THIN ALUMNA FILM ON NiAl(110)
¹Boreskov Institute of Catalysis (Novosibirsk, Russia)
²Fritz-Haber-Institut der Max-Planck-Gesellschaft (Berlin, Germany)
Speaker: Martyanov Oleg Nikolaevich

17-10    OP-3
Kalinkin A.V., Smirnov M.Yu., Bukhtiyarov V.I.
THE OXIDATION OF RHODIUM SUPPORTED ON ALUMINA IN REACTION WITH NO_X STUDIED BY XPS
Boreskov Institute of Catalysis (Novosibirsk, Russia)
Speaker: Kalinkin Alexander Vasilievich

17-30    OP-4
Shor E.I.¹, Shor A.M. ¹, Laletina S.M.¹, Shulimovich T.A.¹, Nasluzov V.A.¹, Rösch N.²
MODELING ACTIVE CENTERS ON OXIDE SURFACES IN CLUSTER APPROACH OF DENSITY FUNCTIONAL METHOD
¹Institute Chemistry and Chemical Technology, SB RAS (Krasnoyarsk, Russia)
²Chemical Department, Munich Technical University (Garching, Germany)
Speaker: Shor Elena

17-50    OP-6
Elokhin V.^1,3, Kovalyov E.¹, Myshlyavtsev A.²
SIMULATION OF CATALYTIC PROCESSES OVER METAL NANOPARTICLES: STATE OF THE ART
¹Boreskov Institute of Catalysis (Novosibirsk, Russia)
²Omsk State Technical University (Omsk, Russia)
³Novosibirsk State University (Novosibirsk, Russia)
Speaker: Elokhin Vladimir

18-10    OP-7
Rostovshchikova T.N.¹, Smirnov V.V.¹, Lokteva E.S.¹, Gurevich S.A.², Kozhevin V.M.², Mitina L.M.³
NEW CATALYSTS BASED ON ENSEMBLES OF NANOPARTICLES: FROM MODEL TO REAL CATALYSIS
¹Lomonosov Moscow State University, Chemistry Department (Moscow, Russia)
²Ioffe Physico-Technical Institute of RAS (St-Petersburg, Russia)
³ISTC (Moscow, Russia)
Speaker: Rostovshchikova Tatyana Nikolaevna

18-30    OP-8
Beck I.E. ¹, Pakharukov I.V.¹, Kriventsov V.V.¹, Zaikovsky V.I.¹, Nartova A.V.^1,2, Parmon V.N. ^1,2, Bukhtiyarov V.I.^1,2
SIZE-DEPENDENT CATALYTIC BEHAVIOR OF ALUMINA-SUPPORTED PLATINUM NANOPARTICLES IN COMPLETE OXIDATION OF METHANE
¹Boreskov Institute of Catalysis (Novosibirsk, Russia)
²Novosibirsk State University (Novosibirsk, Russia)
Speaker: Beck Irene E.

9-00    PL-3
Kazansky V.B.¹, Subbotina I.R.¹, Jentoft F.C.², Schlögl R.²
INTENSITIES OF IR STRETCHING BANDS AS A NEW SPECTRAL CRITERION OF CHEMICAL ACTIVATION OF ADSORBED MOLECULES VIA THEIR POLARIZATION BY THE ACTIVE SITES IN THE ACID HETEROGENEOUS CATALYSIS
¹Zelinsky Institute of Organic Chemistry RAS (Moscow, Russia)
²Fritz-Haber-Institut der Max-Planck-Gesellschaft (Berlin, Germany)

9-40    PL-4
Hávecker M., Teschner D., Vass E., Knop-Gericke A., Zafeiratos S., Gabasch H., Schnörch P., Schlögl R.
THE ROLE OF SUBSURFACE SPECIES IN HETEROGENEOUS CATALYTIC REACTIONS
Fritz-Haber-Institut der Max-Planck-Gesellschaft (Berlin, Germany)

10-50    OP-9
Matveev A.V.¹, Weststrate C.J.², Sametova A.A.¹, Gorodetskii V.V.¹, Nieuwenhuys B.E.²
OXYGEN REACTIVITY IN CO OXIDATION ON STEPPED Rh(410) AND Pt(410) SURFACES
¹Boreskov Institute of Catalysis (Novosibirsk, Russia)
²Leiden Institute of Chemistry (Leiden, The Netherlands)
Speaker: Matveev Andrey Victorovich

11-10    OP-10
Zhang Aihua
CO OXIDATION AT GRAPHITE EDGES: A THEORETICAL STUDY
Fritz-Haber-Institut der Max-Planck-Gesellschaft (Berlin, Germany)

11-30    OP-11
Gorodetskii V.V.¹, Elokhin V.I.¹, Nieuwenhuys B.E.²
FIELD ELECTRON AND FIELD ION MICROSCOPY IMAGING OF CATALYTIC SURFACE REACTIONS ON PLATINUM GROUP METALS
¹Boreskov Institute of Catalysis (Novosibirsk, Russia)
²Leiden Institute of Chemistry (Leiden, The Netherlands)
Speaker: Gorodetskii Vladimir Vladimirovich

11-50    OP-12
Blume R.¹, Hávecker M.¹, Zafeiratos S.¹, Teschner D.¹, Vass E.¹, Schnörch P.¹, Knop-Gericke A.¹ , Schlögl R.¹, Lizzit S.², Dudin P.², Barinov A.², Kiskinova M.²
METHANOL OXIDATION ON RU CATALYSTS: REACTION PATHWAYS AND CATALYTICALLY ACTIVE STATES
¹Fritz-Haber-Institut der Max-Planck-Gesellschaft (Berlin, Germany)
²Synchrotron Trieste (Trieste, Italy)
Speaker: Hävecker Michael

12-10    OP-13
Mamash E.A.
STABILITY OF STEADY STATES IN NONIDEAL MODELS OF SOME DETAILED MECHANISMS OF CATALYTIC REACTIONS
Tuvinian Institute for Exploration of Natural Resources SB of the RAS (Kyzyl, Russia)
Speaker: Mamash Elena A.

12-30    OP-14
Arrigo R., Wild U., Lerch M., Schlögl R., Su D.S.
N-DOPING OF CARBON NANOTUBES VIA AMMOXIDATION AND AMINATION
Fritz-Haber Institut der Max-Planck Gesellschaft (Berlin, Germany)
Speaker: Arrigo Rosa

12-50    OP-15
Votsmeier M.
EFFICIENT IMPLEMENTATION OF DETAILED SURFACE CHEMISTRY INTO REACTOR MODELS BY A SPLINE-REPRESENTATION OF PRECOMPUTED RATE DATA
Umicore AG & Co. KG (Hanau)
Speaker: Votsmeier Martin

13.20 Lunch

14-20    PL-5
Lercher J.A.
ACTIVATING LIGHT ALKANES - NEW OPPORTUNITIES THROUGH MOLECULAR UNDERSTANDING
Technische Universitát München (Munich, Germany)

15-00    OP-16
Kaichev V.V.¹, Popova G.Ya.¹, Chesalov Yu.A.¹, Andrushkevich T.V. ¹, Bukhtiyarov V.I. ¹, Zemlyanov D.Yu. ², Knop-Gericke A.³, Schlögl R. ³
AN INVESTIGATION OF THE MECHANISM FOR METHANOL OXIDATION TO METHYL FORMATE AND DIMETHOXYMETHANE ON V₂O₅/TiO ₂ CATALYST
¹Boreskov Institute of Catalysis (Novosibirsk, Russia)
²Purdue University, Birck Nanotechnology Center (West Lafayette, IN, USA)
³Fritz-Haber Institut der Max-Planck Gesellschaft (Berlin, Germany)
Speaker: Kaichev Vasiliy

15-20    OP-17
Kravtsov A.V., Ivanchina E.D., Ivashkina E.N., Yuriev E.M., Fetisova V.A.
SIMULATION OF ALKANES DEHYDROGENATION PROCESS
TPU (Tomsk, Russia)
Speaker: Fetisova Veronika Alexandrovna

15-40    OP-18
Zenkovets G.A.¹, Kryukova G.N.², Richter K.²
EFFECT OF THE STRUCTURAL ARRANGEMENT OF (MoVW)₅O₁₄ -BASED CATALYSTS ON THEIR CATALYTIC PROPERTIES IN THE REACTION OF THE ACROLEIN OXIDATION INTO ACRYLIC ACID
¹Boreskov Institute of Catalysis (Novosibirsk, Russia)
²GNF eV (Berlin, Germany)
Speaker: Kryukova Galina N.

16-00    OP-19
Sorokin A.M., Kaichev V.V., Gladky A.Yu., Rudina N.A., Prosvirin I.P., Bukhtiyarov V.I.
CATALYTIC ETCHING OF NICKEL IN PROPANE OXIDATION
Boreskov Institute of Catalysis (Novosibirsk, Russia)
Speaker: Sorokin Alexei

9-00    PL-6
Savinova E.R.
APPLICATION OF IN SITU METHODS FOR THE INVESTIGATION OF ELECTROCATALYTIC REACTIONS
Boreskov Institute of Catalysis (Novosibirsk, Russia)

9-40    PL-7
Stakheev A.¹, Grunert W.², Tkachenko O.¹, Teleguina N.¹
REVEALING STRUCTURE-ACTIVITY RELATIONSHIP IN SUPPORTED METAL CATALYSTS BY ANALYSIS OF XPS LINE SHAPE

10-50    OP-20
Roth C.M.
ACTIVE ELECTROCATALYSTS BY MODULAR DESIGN
TU Darmstadt (Darmstadt, Germany)
Speaker: Roth Christina Maria

11-10    OP-21
Roessner F., Kuhlmann A.
HYDROISOMERISATION OF N-HEXANE ON LAYERED ARRANGEMENTS OF H-ERIONTE AND PT/ALUMINA
Industrial Chemistry II, Institute of Chemistry (Oldenburg, Germany)
Speaker: Roessner Frank

11-30    OP-22
Abramova A.V., Kulumbegov R.V.
REGULATION OF PROPERTIES OF CATALYSTS OF DIMETHYL ETHER CONVERSION TO LIGHT OLEFINS BY ZEOLITES MODIFICATION
A.V. Topchiev Institute of Petrochemical Synthesis (Moscow, Russia)
Speaker: Abramova Anna

11-50 P-24 Abramova A.V., Panin A.A.
TARGET MODIFICATION OF ACID PROPERTIES ZEOLITES FOR OBTAINING OF EFFECTIVE CATALYSTS OF n-HEXANE AND FISCHER-TROPSCH SYNTHETIC GASOLINE ISOMERIZATION
A.V. Topchiev Institute of Petrochemical Synthesis (Moscow, Russia)
Speaker: Panin Alexander Alekseevich

12-10    OP-25
Pestunova O.P., Ogorodnikova O., Kuznetsov V., Moseenkov S.
WET PEROXIDE OXIDATION OF ORGANIC POLLUTANTS IN AQUEOUS MEDIA IN PRESENCE OF CARBON MATERIALS
Boreskov Institute of Catalysis (Novosibirsk, Russia)
Speaker: Pestunova Oxana Pavlovna

13.00 Lunch