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Deciphering the calcium silicate hydrate (C-S-H) surface is crucial for unraveling the mechanisms of cement hydration and property development. Experimental observations of C-S-H in cement systems suggest a surface termination which is fundamentally differ ...
AMER CHEMICAL SOC2023
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To rank the performanceof materials for a given carbon captureprocess, we rely on pure component isotherms from which we predictthe mixture isotherms. For screening a large number of materials,we also increasingly rely on isotherms predicted from molecular ...
AMER CHEMICAL SOC2023
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Realizing a hydrogen economy strongly requires alkaline water electrolysis to achieve large-scale generation of H2, but lacks stable and efficient catalysts. The insufficient active sites in Ni(OH)2 impair the catalytic performance of alkaline HER. Herein, ...
ELSEVIER SCIENCE SA2023
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The coupling of CO-generating molecular catalysts with copper electrodes in tandem schemes is a promising strategy to boost the formation of multi-carbon products in the electrocatalytic reduction of CO2. While the spatial distribution of the two component ...
ROYAL SOC CHEMISTRY2023
This thesis investigates the water vapour sorption behaviour of samples with maximized calcium-silicate-hydrate (C-S-H) content. Primarily, the role of heterogeneous and homogeneous cavitation has been studied during the drying of cementitious materials. C ...
EPFL2022
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Knudsen flow experiments and its interpretation in terms of adsorption/desorption kinetics as well as quantitative uptake on substrates of interest is presented together with the description of critical design parameters of the Knudsen Flow Reactor (KFR). ...
An ab initio density functional theory study on the candidacy of single-walled black phosphorus nanotubes (BPNTs) towards sensing several common toxic gas molecules (NH3, CO, NO, NO2, and SO2) was conducted. Various adsorption characteristics, including th ...
We study the water dehydrogenation reaction at the BiVO4(010)-water interface by combining nudged-elastic-band calculations and electronic structure calculations at the hybrid functional level. We investigate the pathway and the kinetic barrier for the adi ...
The adsorption behavior of beta-nicotinamide adenine dinucleotide (NADH) at the carbon/electrolyte interface has been studied using a combination of neutron reflectometry (NR) and solution depletion isotherms. Coupling the NR technique with an electrochemi ...
The presence of gas species other than the target adsorbate in practical conditions causes complications in implementing a sorption-based process because of synergistic or detrimental effects on the sorption mechanism. MgO-based sorbents have attracted mas ...
