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
- (2020) Interoperability architecture for bridging computational tools: Application to steel corrosion in concrete. Modelling and Simulation in Materials Science and Engineering. vol. 28.
- (2020) Structure, hydration, and chloride ingress in C-S-H: Insight from DFT calculations. Cement and Concrete Research. vol. 129.
- (2020) Core-Shell Nanostructures of Graphene-Wrapped CdS Nanoparticles and TiO2 (CdS@G@TiO2): The Role of Graphene in Enhanced Photocatalytic H2 Generation. Catalysts. vol. 10 (4).
- (2019) Towards rigorous multiscale flow models of nanoparticle reactivity in chemical looping applications. Catalysis Today. vol. 338.
- (2019) Interaction of hydrogen with flat (0001) and corrugated (11–20) and (10–12) cobalt surfaces: Insights from experiment and theory. Catalysis Today. vol. 342.
- (2018) Effect of trace potassium on hydrogen adsorption and dissociation on hcp cobalt: A density functional theory study. Surface Science. vol. 681.
- (2018) Effects of sulphur on a Co/Mn-based catalyst for Fischer-Tropsch reactions. Catalysis Letters. vol. 148 (10).
- (2018) Synthesis of light olefins and alkanes on supported iron oxide catalysts. Catalysis Today. vol. 299.
- (2018) Effect of composition and preparation of supported MoO3 catalysts for anisole hydrodeoxygenation. Chemical Engineering Journal. vol. 335.
- (2018) Effects of K adsorption on the CO-induced restructuring of Co(11-20). Catalysis Today. vol. 299.
- (2018) New insight to the effects of heat treatment in air on the permeation properties of thin Pd77%Ag23% membranes. Membranes. vol. 8:92 (4).
- (2018) Facile synthesis approach for core-shell TiO2–CdS nanoparticles for enhanced photocatalytic H2 generation from water. Catalysis Today.
- (2018) Mn promoted Co catalysts for Fischer-Tropsch production of light olefins – An experimental and theoretical study. Journal of Catalysis. vol. 361.
- (2017) Potassium adsorption behavior on hcp cobalt as model systems for the Fischer–Tropsch synthesis: a density functional theory study. Physical Chemistry, Chemical Physics - PCCP. vol. 19 (19).
- (2017) Hydrodeoxygenation of phenolics in liquid phase over supported MoO3 and carburized analogues. Biomass Conversion and Biorefinery. vol. 7 (3).
- (2015) Effect of Sb Segregation on Conductance and Catalytic Activity at Pt/Sb-Doped SnO2 Interface: A Synergetic Computational and Experimental Study. ACS Applied Materials & Interfaces. vol. 7 (50).
- (2015) An investigation of the typical corrosion parameters used to test polymer electrolyte fuel cell bipolar plate coatings, with titanium nitride coated stainless steel as a case study. Journal of Power Sources. vol. 285.
- (2015) Thickness dependent effects of solubility and surface phenomena on the hydrogen transport properties of sputtered Pd77%Ag23% thin film membranes. Journal of Membrane Science. vol. 476.
- (2014) Reduction Behavior of Oxidized Pd(100) and Pd75Ag25(100) Surfaces Using CO. Surface Science. vol. 621.
- (2012) Adsorbate-induced segregation in a PdAg membrane model system: Pd3Ag(111). Catalysis Today. vol. 193 (1).