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In this study, the interactions of magnesium (Mg) atom and Mg(001) surface with different metal-atom-doped graphene were investigated using a density functional theory (DFT) method. For the interactions of magnesium with Al-, Mn-, Zn-, and Zr-doped and intrinsic graphene, it was found that the magnesium atoms were physisorbed into the hollow sites of the intrinsic graphene with only the smallest interaction energy (approximately −1.900 eV). However, the magnesium atoms tended to be chemisorbed on the doped graphene, which exhibited larger interaction energies and charge transfers. Additionally, the Zn-doped graphene displayed the largest interaction energy with the Mg atom (approximately −3.833 eV). For the interactions of Mg(001) with Al-, Mn-, Zn-, and Zr-doped and intrinsic graphene (intrinsic and doped graphene/Mg interface), doped atoms interacted with a Mg layer to make graphene wrinkle, resulting in a higher specific surface area and better stability. Mg–C chemical bonds were formed at the Al-, Zn-, and Zr-doped interface, and Mg–Mn chemical bonds were formed at the Mn-doped interface. This study provided the fundamental research for future research into doped atoms on graphene reinforced magnesium matrix composites. [ABSTRACT FROM AUTHOR]

Rechargeable aqueous zinc batteries (AZBs) have been regarded as promising large-scale energy storage technologies, due to their low cost and high safety. However, the dendrite growth and side reactions on the Zn metal anode hinder their practical application. Herein, the cotton textiles-based separators with easily-fabricated and cost-effective features are demonstrated for AZBs. By complexing inorganic fluoperovskite NaZnF 3 and organic Nafion layers, the as-fabricated separator (CT@NZF@N) can regulate the zinc plating/stripping behavior, which will reduce the zinc nucleation overpotential and lower the charge transfer resistance, thus achieving a highly reversible Zn plating/stripping process with corrosion-free and dendrite-free behavior. Consequently, the zinc symmetric cell with CT@NZF@N separator exhibits prolonged cycle life up to 300 h (0.5 mA cm−2, 0.5 mAh cm−2) in a mild ZnSO 4 electrolyte. Moreover, the functional separator also enables V 2 O 5 //Zn battery significantly improved rate capability and cyclability. This work provides an appealing strategy for designing reliable, efficient, and cost-effective separators for high-performance AZBs. [Display omitted] • The NaZnF 3 and Nafion-decorated cellulose-based separators were fabricated. • The separators can regulate the zinc deposition behaviour in aqueous electrolyte. • The separators enable the V 2 O 5 //Zn battery improved performance. [ABSTRACT FROM AUTHOR]

• Biphasic Fe 7 S 8 @MnS heterostructure embedded in sulfur-doped carbon matrix was synthesized. • The composites exhibit enhanced lithium storage performance with high rate capability and long cycling stability. • These results can be attributed to the multiphasic components with heterostructures and porous conductive carbon frameworks. Transition metal chalcogenides have been regarded as promising anode candidates for lithium-ion batteries, featured by their high capacity and abundant material choice. However, their practical implementation was hindered by the poor reaction kinetics and rapid capacity fading due to their low electronic conductivity and severe volume variation upon the (de-)lithiation processes. Here, we have successfully fabricated the biphasic Fe 7 S 8 @MnS heterostructure embedded in sulfur-doped carbon matrix by direct sulfidation of Fe/Mn bimetal-organic frameworks. The biphasic heterostructure and the porous carbon frameworks can create abundant phase boundaries and multiple conductive channels for change transfer, thus improving the electronic conductivity and contact area with electrolyte, leading to facilitated charge transfer capability. As a result, the Fe 7 S 8 @MnS/C composites exhibit superior lithium storage performance with a specific capacity of 917 mA h g−1 at 0.1 A g−1 and maintain at 581 mA h g−1 after 500 cycles at 1 A g−1. This work provides an efficient strategy for constructing multiphase nanomaterials towards high performance anodes for Li-ion batteries. [ABSTRACT FROM AUTHOR]