Background and activities
Scientific, academic and artistic work
A selection of recent journal publications, artistic productions, books, including book and report excerpts. See all publications in the database
- (2021) Initial degradation mechanism of salicylic acid via electrochemical process. Chemical Physics. vol. 543.
- (2021) Elastic and thermodynamic properties of the major clinker phases of Portland cement: Insights from first principles calculations. Construction and Building Materials. vol. 287.
- (2021) How do the doping concentrations of N and B in graphene modify the water adsorption?. RSC Advances. vol. 11 (32).
- (2021) Mechanism of proton transport in water clusters and the effect of electric fields: A DFT study. Current applied physics. vol. 25.
- (2020) Application of electrochemical oxidation in cold climate regions – Effect of temperature, pH and anode material on the degradation of Bisphenol A and the formation of disinfection by-products. Journal of Environmental Chemical Engineering.
- (2020) Elucidating the role of tetraethylammonium in the silicate condensation reaction from Ab initio molecular dynamics simulations. Journal of Physical Chemistry B. vol. 124 (45).
- (2020) Fuel characterization and thermal degradation kinetics of biomass from phytoremediation plants. Biomass & Bioenergy. vol. 134.
- (2020) Coverage degrees of colloids on electrochemical electrodes and signal amplification for anti-citrullinated peptide antibody detection. Sensing and Bio-Sensing Research. vol. 27.
- (2019) Insights into the Kinetics of Intermediate Formation during Electrochemical Oxidation of the Organic Model Pollutant Salicylic Acid in Chloride Electrolyte. Water. vol. 11 (7).
- (2019) Energy crops for sustainable phytoremediation – Thermal decomposition kinetics. Energy Procedia. vol. 158.
- (2018) Degradation of the chemotherapy drug 5-fluorouracil on medical-grade silver surfaces. Applied Surface Science. vol. 435.
- (2018) Diffusion of gas mixtures in the sI hydrate structure. Journal of Chemical Physics. vol. 148 (21).
- (2018) Temperature anisotropy at equilibrium reveals nonlocal entropic contributions to interfacial properties. Physical review. E. vol. 97.
- (2017) Selective dissolution of woody biomass under hydrothermal conditions. Energy Procedia. vol. 142.
- (2017) Correlation between the porosity of γ-Al2O3 and the performance of CuO–ZnO–Al2O3 catalysts for CO2 hydrogenation into methanol. Reaction Kinetics, Mechanisms and Catalysis.
- (2017) Geometrical flexibility of platinum nanoclusters: impacts on catalytic decomposition of ethylene glycol. Physical Chemistry, Chemical Physics - PCCP. vol. 19 (42).
- (2017) Rare event simulations reveal subtle key steps in aqueous silicate condensation. Physical Chemistry, Chemical Physics - PCCP. vol. 19 (20).
- (2017) CFD pre-study of Nozzle reactor for fast hydrothermal liquefaction. Energy Procedia. vol. 142.
- (2017) Thermodynamic Properties of Hydrogen Dissociation Reaction from the Small System Method and Reactive Force Field ReaxFF. Chemical Physics Letters. vol. 672.
- (2016) Chemically accurate energy barriers of small gas molecules in through hexagonal water rings. Physical Chemistry, Chemical Physics - PCCP. vol. 18.