Quantitative Criteria for Solvent Selection in Liquid-Phase Exfoliation: Balancing Exfoliation and Stabilization Efficiency.

The selection of solvent is pivotal in liquid-phase exfoliation (LPE), as an ideal solvent minimizes the energy required to disrupt the interlayer attractive interactions while stabilizing exfoliated layers to prevent re-agglomeration. This study theoretically analyzed the LPE of Mg(OH) in different solvents, including water, dimethyl sulfoxide (DMSO), dimethylformamide, N-methyl-2-pyrrolidone (NMP), isopropyl alcohol, and 2-butanone, through first-principles calculations combined with experimental validation. DMSO was identified as the most effective solvent for reducing the interlayer attraction, based on exfoliation energy calculations, while NMP was the most efficient for stabilizing exfoliated layers, based on binding energy assessments.

Enhancing CO Adsorption on MgO: Insights into Dopant Selection and Mechanistic Pathways.

Inspired by our recent success in designing CO-phobic and CO-philic domains on nano-MgO for effective CO adsorption, our ongoing efforts focus on incorporating dopants into pristine MgO to further enhance its CO adsorption capabilities. However, a clear set of guidelines for dopant selection and a holistic understanding of the underlying mechanisms is still lacking. In our investigation, we combined first-principles calculations with experimental approaches to explore the crystal and electronic structural changes in MgO doped with high-valence elements (Al, C, Si, and Ti) and their interactions with CO.

Modelling Selective CO Absorption and Validation via Photosynthetic Bacteria and Chemical Adsorbents for Methane Purification in Anaerobic Fermentation Bioreactors.

This study delves into advanced methane purification techniques within anaerobic fermentation bioreactors, focusing on selective CO absorption and comparing photosynthetic bacteria (PNSB) with chemical adsorbents. Our investigation demonstrates that MgO-Mg(OH) composites exhibit remarkable CO selectivity over CH, substantiated through rigorous bulk and surface modelling analyses. To address the challenges posed by MgCO shell formation on MgO particles, hindering CO transport, we advocate for the utilisation of MgO-Mg(OH) composites.