Ion and water adsorption to graphene and graphene oxide surfaces

Abstract

Understanding molecular-scale information about water and ion interactions at graphene and graphene oxide surfaces is critical for successful application development.

Untangling the Effect of Carbonaceous Materials on the Photoelectrochemical Performance of BaTaO2N

“…The highest value of differential adsorption (d E ads /d N i ) is in good agreement with the experimental data (Figure a). Computational simulation and experimental data revealed that the water molecules can form stable hydrated multilayers on the flat units of graphene . The highest peak observed at an adsorption energy of −2.15 kcal mol –1 (Figure ) indicates a large number of water molecules adsorbed on the surface of the BT-GR composite.…”

“…However, the highest values of E ads for BT-NT, BT-NH, and BT-FU (Figure b) are the subject of controversy regarding the mode of adsorption of water molecules. The increased value of E ads can be explained by the impact of possible adsorption of a part of water molecules in the internal channel of nanotubes, nanohorns, and fullerene. − It is known that the carbon nanotube channel is strongly hydrophobic but can filled up with water molecules forming a hydrogen-bonded chain . The structure of carbon nanohorns has a closed horn tip at one side and an open end on the other side, allowing the water molecules to enter .…”

“…Computational simulation and experimental data revealed that the water molecules can form stable hydrated multilayers on the flat units of graphene. 68 The highest peak observed at an adsorption energy of −2.15 kcal mol −1 (Figure 8) indicates a large number of water molecules adsorbed on the surface of the BT-GR composite. In the cases of BT-FU, BT-NH, and BT-NT composites, the presence of multiple peaks noted at different adsorption energies confirms a number of water molecules adsorbed on different adsorption sites in comparison to the BT-GR and BT-CN composites.…”

Aqueous Interfaces in Chemical Separations

“…It specifically discusses model interfacial systems that allow direct molecular-scale measurements. For a broader understanding, readers are encouraged to refer to comprehensive reviews on LLE. , Recent reviews also cover interfaces in other separation systems, such as graphene-based materials …”

“…3,4 Recent reviews also cover interfaces in other separation systems, such as graphene-based materials. 5 The demand for heavy elements is steadily increasing due to their utilization in energy production, vehicles, magnets, electronic displays, and other strategic technologies. Surprisingly, these ions have received little attention in interfacial studies, resulting in limited experimental and theoretical knowledge about multivalent and complex ions at interfaces, most of which has been developed in the past decade.…”