Water‐Soluble Polymeric Carbon Nitride Colloidal Nanoparticles for Highly Selective Quasi‐Homogeneous Photocatalysis†
- I. Krivtsov, D. Mitoraj, R. Beranek
- ChemistryAngewandte Chemie
- 24 September 2019
A bottom‐up preparation of PCN nanoparticles with a narrow size distribution is reported, which are fully soluble in water showing no gelation or precipitation over several months, and allow photocatalysis to be carried out under quasi‐homogeneous conditions.
Theoretical investigations of the oxygen reduction reaction on Pt(111).
- J. Keith, G. Jerkiewicz, T. Jacob
- ChemistryChemPhysChem
- 10 September 2010
The theory behind these types of simulations and the performance of these methods in studying the binding of molecular oxygen to Pt(111) electrodes are reviewed, and the results in elucidating the ORR are outlined.
The Mechanism of Forming H2O from H2 and O2 over a Pt Catalyst via Direct Oxygen Reduction
- T. Jacob
- Chemistry
- 1 August 2006
Density functional theory (DFT) was used with the B3LYP gradient‐corrected exchange–correlation functional to study the mechanism for the reaction of H2 + ${1 \over 2}$ O2 → H2O over a Pt catalyst…
An advanced model framework for solid electrolyte intercalation batteries.
- M. Landstorfer, S. Funken, T. Jacob
- Materials SciencePhysical Chemistry, Chemical Physics - PCCP
- 6 July 2011
A mathematical model for ion flux in solid electrolytes, based on non-equilibrium thermodynamics and functional derivatives is presented, allowing the computation of the ion concentration at the electrode/electrolyte interface.
Many-body effects in silicene, silicane, germanene and germanane.
- Wei Wei, Ying Dai, Baibiao Huang, T. Jacob
- Chemistry, PhysicsPhysical Chemistry, Chemical Physics - PCCP
- 16 May 2013
In this work, many-body effects in silicene, silicane, germanene and germanane have been demonstrated based on the Green's function perturbation theory, i.e., GW + Bethe-Salpeter equation.
Mathematical modeling of intercalation batteries at the cell level and beyond.
- M. Landstorfer, T. Jacob
- Materials ScienceChemical Society Reviews
- 25 March 2013
The commonly used set of equations based on the most general form of linear non-equilibrium thermodynamics based on surface charge densities and electrode potentials is derived and a mathematical treatment of the intercalation reaction is presented.
Theoretical investigations on the potential-induced formation of Pt-oxide surfaces
- T. Jacob
- Chemistry, Materials Science
- 1 September 2007
Controlling selectivity in the chlorine evolution reaction over RuO₂-based catalysts.
It is demonstrated that one monolayer of TiO2(110) supported on RuO2 (110) enhances the selectivity towards the CER by several orders of magnitudes, while preserving the high activity for the C ER.
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