Contact

Room:  W03 0-037

Tel.:  +49 441 798 3892

Address: 
Postfach 76
Institut für Chemie
Carl von Ossietzky Universität
D-26111 Oldenburg

Luca Gerhards, PhD

Current Research

Theoretical studies on photocatalytic sulfoxidation

  • Modelling of a titanium dioxide-rutile(110) and -anatase(101) surface
  • Coadsorption of sulfur dioxide and methane on titanium dioxide
  • Application of ab initio quantum chemical methods to calculate
    high-dimensional potential energy surfaces for ground and excited states
    (CASSCF, CASPT2/NEVPT2)

See also Graduiertenkolleg 2226 - Chemical Bond Activation

Publications

PhD thesis (2021)

Title:
Quantum Chemical Investigation of the Photocatalytic Sulfoxidation of Hydrocarbons – A Potential New Reaction for Industry

Master thesis (2017)

Title:
Ab initio cluster calculations on the adsorption of SO2 on a TiO2-Rutil(110) surface

Bachelor thesis (2015)

Title:
Determination of the temperature-dependent foaming and corrosion behaviours of aqueous solution of amines (Working group Brehm)

(Changed: 20 Jun 2024)  | 
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