Abstract K-ion battery (KIB), as an alternative to traditional Li-ion battery (LIB), has drawn
ever-growing research interests because of its low cost, high voltage and similar working …

In recent decade, special interest is paid to germanium as potential material of negative
electrodes in lithium-ion and, the more so, sodium-ion batteries. In the review, studies of …

Using first-principles swarm intelligence structure prediction computations, we explore a fully
planar BGe monolayer with unique mechanical and electrical properties. Theoretical …

Looking for high energy density anode materials is still a key factor for high-performance
rechargeable lithium-ion batteries (LIBs). Based on the first-principles calculation method …

In this paper, first principles calculations are used to investigate atomic structure and
mechanical properties of germanene nanosheet. By applying uniaxial and biaxial tensile …

We carried out density functional theory calculations to investigate the electronic and
structural properties of linear carbon chains (carbynes) encapsulated in armchair and zigzag …

Understanding the material process and the mechanism behind during battery operation is
essential to discover or identify new electrode for the sodium ion batteries. Using first …