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.

Enhancing MgO efficiency in CO capture: engineered MgO/Mg(OH) composites with Cl, SO, and PO additives.

The formation of a MgCO shell hampers CO capture efficiency in MgO. Our previous studies developed MgO/Mg(OH) composites to facilitate CO diffusion, improving capture efficiency. However, MgCO still formed along the interfaces.

Layer-dependent stability of 2D mica nanosheets.

We report on the layer-dependent stability of muscovite-type two-dimensional (2D) mica nanosheets (KAlSiO(OH)). First-principles calculations on mica nanosheets with different layer thicknesses (n = 1, 2, and 3) reveal their layer-dependent stability; odd-numbered 2D mica nanosheets are more stable than even-numbered ones, and the preferable stability of odd-numbered layers originates from electronic effects. A core-shielding model is proposed with a reasonable assumption, successfully proving the instability of the even-numbered mica nanosheets.

Efficient Synthesis of 2D Mica Nanosheets by Solvothermal and Microwave-Assisted Techniques for CO Capture Applications.

Mica, a commonly occurring mineral, has significant potential for various applications due to its unique structure and properties. However, due to its non-Van Der Waals bonded structure, it is difficult to exfoliate mica into ultrathin nanosheets. In this work, we report a rapid solvothermal microwave synthesis of 2D mica with short reaction time and energy conservation.

Origin of observed narrow bandgap of mica nanosheets.

Mica nanosheets possess peculiar feature of narrowed bandgap with the decrease of thickness but a conclusive theoretical understanding of the narrowing mechanisms is still under development. In this report, first-principles calculations were carried out to investigate the electronic band structure of mica nanosheets with the deposition of KCO. Bulk mica shows an indirect bandgap of 4.

Morphology Design and Fabrication of Bio-Inspired Nano-MgO-Mg(OH) via Vapor Steaming to Enable Bulk CO Diffusion and Capture.

The absorption of CO on MgO is being studied in depth in order to enhance carbon engineering. Production of carbonate on MgO surfaces, such as MgCO, for example, has been shown to hinder further carbon lattice transit and lower CO collecting efficiency. To avoid the carbonate blocking effect, we mimic the water harvesting nano-surface systems of desert beetles, which use alternate hydrophobic and hydrophilic surface domains to collect liquid water and convey condensed droplets down to their mouths, respectively.

Engineering Electronic Structure and Band Alignment of 2D Mg(OH) via Anion Doping for Photocatalytic Applications.

The wide bandgap of 2D Mg(OH) inhibits its applications in visible-light photocatalytic applications. Besides, its mismatched band alignment to the redox potential of O/HO, brings about low efficacy of water-splitting performance. Therefore, to release the powder of 2D Mg(OH) in photocatalytic research, we explore anion doping strategies to engineer its electronic structure.

Multi Band Gap Electronic Structure in CHNHPbI.

Organo-lead halide perovskite solar cells represent a revolutionary shift in solar photovoltaics, introducing relatively soft defect containing semiconductors as materials with excellent charge collection for both electrons and holes. Although they are based on the nominally simple cubic perovskite structure, these compounds are in fact very complex. For example, in (CHNH)PbI the dynamics and ensuing structural fluctuations associated with the (CHNH) ions and the interplay with the electronic properties are still not fully understood, despite extensive study.

Doping-enhanced lithium diffusion in lithium-ion batteries.

We disclose a distortion-assisted diffusion mechanism in Li3N and Li2.5Co0.5N by first-principles simulations.

Proton interaction in phosphate adsorption onto goethite.

The adsorption of phosphate on goethite is generally modeled by assuming a simple ligand exchange reaction with surface hydroxyl groups. This study investigates the binding forms of phosphate on goethite by evaluating the proton interaction and surface charge change during phosphate adsorption. It is found that OH(-) release stoichiometry increases with phosphate coverage, which suggests that different mechanisms predominate at different phosphate loadings.

Acid/Base-treated activated carbons: characterization of functional groups and metal adsorptive properties.

Surface modification of activated carbons by various physicochemical methods directs an attractive approach for improvement of heavy metal uptake from aqueous solutions. Activated carbons were modified with HCl and HNO3 optionally followed by NaOH. The effects of surface modifications on the properties of the carbons were studied by the specific surface area, carbon pH, and total acidity capacity as well as by scanning electron microscopy, X-ray photoelectron spectroscopy, and Fourier transform infrared spectroscopy.

Simultaneous adsorption of copper ions and humic acid onto an activated carbon.

In this study, simultaneous adsorption of copper ions and humic acid (HA) from Aldrich onto an activated carbon is investigated. It is found that the HA adsorption in the absence of copper decreases as the pH is increased. It leads to a reduction of 34.

Constitutive model development and micro-structural topology optimisation for nafion hydrogel membranes with ionic clustering.

The deployment of electroactive ionic polymer hydrogel-metal composites in artificial muscle and BioMEMS applications has recently been intensively investigated. In order to analyse their electromechanical responses to externally applied electrical fields, it is critical to develop a constitutive model linking the macro-mechanical moduli with the micro-mechanical characteristics, and to determine the geometric size and shape of the micro-structural cluster and investigate the effect of cluster morphology on the effective electro-elastic moduli of the polymer hydrogels. As a typical ionic polymer-based hydrogel, the Nafion membrane is studied in this work.