New graphane: inspiration from the structure correlation with phosphorene.

The application of phosphorene and graphane in different photoelectric devices and energy reserves has attracted wide attention. Here, we investigated the Raman spectra, phonon dispersion and vibration modes of four phosphorene monolayer polymorphs and four graphane allotropes with the corresponding crystal structures to analyze the structure correlation between them. Based on the "three identical, one divergent" pattern found in the sp3 hybrid atomic orbitals of phosphorene and graphane, four new graphane conformers with different hydrogenation modes named γδ-G, αγ-G, βγ-G and αδ-G are successfully predicted.

Theoretical anchoring effect of new phosphorus allotropes for lithium-sulfur batteries.

The lithium-sulfur battery system has appeared as a new-generation alternative to lithium-ion batteries with 5-7 times higher specific energy density than conventional lithium-ion batteries. But its commercial implementation is still impeded by a series of technical challenges. Modifying separation with the anchoring material is viewed as an effective way to overcome these problems and achieve long-term cycling stability and high-rate performance.