2D composites with S doping into N-rich carbon nanosheets are fabricated, whose interlayer distance becomes large enough for Na insertion and diffusion. The large surface area and stable structure also provide more sites for Na adsorption, leading to high Na-storage capacity and excellent rate performance. Moreover, Faradaic reactions between Na and tightly bound S is beneficial for further improvement of Na-storage capacity.

By means of density functional theory computations, we systematically investigated the adsorption and diffusion of Li on the 2-D MoS2 nanosheets and 1-D zigzag MoS2 nanoribbons (ZMoS2NRs), in comparison with MoS2 bulk. Although the Li mobility can be significantly facilitated in MoS2 nanosheets, their decreased Li binding energies make them less attractive for cathode applications. Because of the presence of unique edge states, ZMoS2NRs have a remarkably enhanced binding interaction with Li without sacrificing the Li mobility, and thus are promising as cathode materials of Li-ion batteries with a high power density and fast charge/discharge rates.

The 2D material single‐layer MnPSe3 would be a promising photocatalyst for water splitting, as indicated by the proper positions of band edges, strong absorption in visible‐light spectrum, broad applicability (pH = 0 – 7), and high carrier mobility.

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