M.Sc. Luca Gerhards (PhD Student)
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M.Sc. Luca Gerhards (PhD Student)
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)
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)