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Institution
Universität Ulm
Fakultät für Naturwissenschaften
Institut für Theoretische Chemie
Address
Albert-Einstein-Allee 11
89081 Ulm
Deutschland
GERiT
This institution in GERiT
89081 Ulm
Projects
Priority Programmes
Completed projects
Bildung, Struktur und chemische/physikalische Eigenschaften nanostrukturierter, bimetallischer Elektrodenoberflächen
(Applicant
Behm, Rolf Jürgen
)
Charakterisierung und Modifikation der aktiven Zentren für die heterogen katalysierte Partialoxidation von Methanol über Kupfer
(Applicant
Behm, Rolf Jürgen
)
Charakterisierung und Modifikation der aktiven Zentren für die heterogen katalysierte Partialoxidation von Methanol über Kupfer
(Applicant
Groß, Axel
)
Effects of magnetic and electric fields, mechanical stress on the conformational state and release behavior of the composite gels with embedded colloid particles
(Applicant
Khokhlov, Alexei R.
)
Geometrische und elektronische Struktur von adsorbierten Metallclustern
(Applicant
Groß, Axel
)
Joint Proposal: Novel Catalysts for Polymer Electrolyte Fuel Cells based on tenside-stabilized, bimetallic colloidal Precursors Partial Project III: Model Studies on the catalytic Activity, Stability and CO-Tolerance of the colloid-based Catalysts
(Applicant
Behm, Rolf Jürgen
)
Mechanismus der Tieftemperatur-CO-Oxidation an metalloxidgeträgerten Au-Katalysatoren
(Applicant
Behm, Rolf Jürgen
)
Nanostrukturierte, mesoporöse Au/MeOx Katalysatoren für Tieftemperatur-Oxidation- und Reduktion
(Applicant
Behm, Rolf Jürgen
)
Theoretische Behandlung der Reaktionsdynamik an Oberflächen mit elektronischen Übergängen
(Applicant
Groß, Axel
)
Theoretische Untersuchungen zur elektrochemischen Nanotechnologie
(Applicant
Schmickler, Wolfgang
)
Research Grants
Completed projects
Ab initio description of non-adiabatic effects in dissociative adsorption at surfaces
(Applicant
Reuter, Karsten
)
Ab initio description of non-adiabatic effects in dissociative adsorption at surfaces
(Applicant
Groß, Axel
)
Ab initio molecular dynamics approach to adsorption processes of complex molecules
(Applicants
Groß, Axel
;
Reuter, Karsten
)
Adsorption auf strukturierten Metalloberflächen
(Applicant
Groß, Axel
)
Die elektrolytische Doppelschicht an Nanodrähten und in Nanoröhren
(Applicant
Hartnig, Christoph
)
Dye stabilised nanoemulsions as powerful platform for the synthesis of nanoparticles
(Applicant
Ziener, Ulrich
)
Dynamics of electrochemical electron-transfer reactions
(Applicant
Schmickler, Wolfgang
)
Dynamik von Oberflächenstrukturen auf Goldelektroden
(Applicants
Giesen, Margareta
;
Jacob, Timo
;
Schmickler, Wolfgang
)
Electric field effects at metal-semiconductor and semiconductor-water interfaces
(Applicant
Groß, Axel
)
Electrochemical Double Layers in Confined Geometries
(Applicant
Schmickler, Wolfgang
)
Electrochemical Reactivity of Supported Nanowires - a Theoretical Investigation
(Applicant
Schmickler, Wolfgang
)
Elektrische Feldeffekte in der Wechselwirkung von Molekülen mit Grenzflächen
(Applicant
Groß, Axel
)
Elektrochemie von flüssig-flüssig-Phasengrenzen
(Applicant
Schmickler, Wolfgang
)
Enhancing capacity and rechargeability of lithium-air batteries by precise control of reaction zone dimensions and mediators
(Applicant
Groß, Axel
)
ERA-Chemistry: Novel Pt-poor catalysts for the electrocatalytic O2 reduction based on modified, nanostructured metal oxides
(Applicant
Behm, Rolf Jürgen
)
Fast in situ - spectroscopy of electrocatalytic fuel cell reactions - Methodic development and mechanistic studies
(Applicant
Behm, Rolf Jürgen
)
Fundamental Aspects of Direct Liquid-Alcohol Fuel Cells
(Applicant
Behm, Rolf Jürgen
)
Improved atomistic first-principles description of structures and processes at electrochemical electrode/electrolyte interfaces
(Applicant
Groß, Axel
)
Kinetik einfacher Ionen- und Protonentransferprozesse an Einkristallelektroden
(Applicant
Schmickler, Wolfgang
)
Novel Electrode Materials Based Zn-Air Batteries for Energy Storage: From Fundamental Aspects to System Engineering
(Applicant
Behm, Rolf Jürgen
)
Novel Electrode Materials Based Zn-Air Batteries for Energy Storage: From Fundamental Aspects to System Engineering
(Applicant
Groß, Axel
)
Novel nanostructured catalysts for the high-temperature electro-oxidation of small organic molecules
(Applicant
Behm, Rolf Jürgen
)
Role of complex formation in metal deposition - a theoretical study
(Applicant
Schmickler, Wolfgang
)
Simulationen des elektrochemischen Protonentransfers
(Applicant
Schmickler, Wolfgang
)
The combined use of computational screening and electrochemical characterization for the identification of new electrolyte components for supercapacitors
(Applicants
Balducci, Andrea
;
Korth, Martin
)
Theoretical Study Addressing the (Meta-)Stability of Bimetallic Nanostructures
(Applicant
Groß, Axel
)
Theorie der Elektrokatalyse an Metallelektroden
(Applicants
Santos, Elizabeth
;
Schmickler, Wolfgang
)
The step line tension of metal electrodes
(Applicant
Schmickler, Wolfgang
)
Research Units
Completed projects
Central Project
(Applicant
Groß, Axel
)
Computer Simulation of Proton Discharge on Electrodes
(Applicants
Korth, Martin
;
Spohr, Eckhard
)
Electrocatalytic activity of nanostructured electrodes
(Applicant
Santos, Elizabeth
)
Electron transfer in oxygen reduction
(Applicant
Schmickler, Wolfgang
)
Elementary reaction steps in C1 electrooxidation
(Applicant
Jusys, Zenonas
)
FOR 1376: Elementary Reaction Steps in Electrocatalysis: Theory Meets Experiment
(Spokesperson
Groß, Axel
)
Structure-reactivity relationships for bimetallic electrodes
(Applicants
Behm, Rolf Jürgen
;
Groß, Axel
)
Theoretical description of the electrode potential
(Applicant
Groß, Axel
)
Collaborative Research Centres
Completed projects
Adsorbed Comb-linke Copolymers as a Tool for Multifunctional Molecular Devices
(Project Heads
Khokhlov, Alexei R.
;
Marti, Othmar
;
Potemkin, Igor
)
Heterogen modifizierte Elektrodenoberflächen als Modellkatalysatoren - Struktur und Reaktivität
(Project Heads
Behm, Rolf Jürgen
;
Magnussen, Olaf
)
Microheterogeneities in associating polyelectrolytes
(Project Heads
Khokhlov, Alexei R.
;
Potemkin, Igor
)
Organische Oberflächen-Templat-Strukturen als Wirtssysteme zur Metallanbindung
(Project Heads
Groß, Axel
;
Ziener, Ulrich
)
Self-organizing bioinspired oligothiophene-oligopeptide-hybrids - A joint experimental and theoretical approach
(Project Heads
Bäuerle, Peter
;
Khokhlov, Alexei R.
)
Smart copolymers near patterned substrates: surface-modulated morphologies
(Project Heads
Khokhlov, Alexei R.
;
Potemkin, Igor
)
Strukturierte Modellkatalysatoren durch Funktionalisierung mesoskopisch strukturierter Oxidoberflächen
(Project Heads
Bansmann, Joachim
;
Behm, Rolf Jürgen
)
Struktur und Dynamik von großen molekularen Adsorbaten und selbstorganisierten organischen Templatschichten
(Project Heads
Behm, Rolf Jürgen
;
Hoster, Harry
)
Theorie der Struktur, Dynamik und Funktionalität organischer Funktionsbausteine auf Oberflächen
(Project Head
Groß, Axel
)
CRC/Transregios
Current projects
Multi-scale simulation of light-driven catalytic processes in molecule-in-polymer systems
(Project Heads
Groß, Axel
;
Gräfe, Stefanie
)
Completed projects
Self-regulating Photocatalytic Materials Based on pH-responsive Block Copolymers
(Project Heads
Khokhlov, Alexei R.
;
Schacher, Felix H.
)
Research Training Groups
Completed projects
GRK 328: Molecular Organisation and Dynamics at Interfaces
(Spokesperson
Kolb, Dieter M.
)
Clusters of Excellence (ExStra)
Current projects
EXC 2154: POLiS - Post Lithium Storage Cluster of Excellence
(Spokespersons
Ehrenberg, Helmut
;
Fichtner, Maximilian
;
Groß, Axel
)
NFDI technical and methodological consortia
Current projects
FAIRmat – FAIR Data Infrastructure for Condensed-Matter Physics and the Chemical Physics of Solids
(Spokesperson
Draxl, Claudia
)
Additional Information
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