Recent Progress in Al‐, K‐, and Zn‐Ion Batteries: Experimental and Theoretical Viewpoints

Abstract

Herein, recent advancements in battery materials’ research post‐Li‐ion era, from both the perspective of experimental investigations and theoretical analysis, are focused on. A plethora of materials family, which has been proven to be impactful for Al‐, K‐, and Zn‐ion batteries, leverages the advanced synthesis and characterization along with the first‐principles electronic structure calculations. However, the adequate amalgamation between experimental findings and theoretical study of materials’ properties needs to be well addressed. This paves the way to the present article, where the recent progress in Al, K, and Zn battery materials, with a common string of connections between experiment and theory, is critically reviewed. The advanced characteristics relevant to Al‐, Zn‐, and K‐ion battery technology, along with theoretical tools like molecular dynamics simulation, transition pathway, and voltage profiles, are discussed. It also sheds light on the treatment of solid−liquid interfaces and how one can achieve an optimum electrochemical performance for the next‐generation battery advancement. An extensive status quo of the Al‐, Zn‐, and K‐ion battery research would certainly be instrumental for the energy‐storage community, where one can perceive broader viewpoints in battery technology from fundamental understanding.

Structure Evolution of V2O5 as Electrode Materials for Metal‐Ion Batteries

“…AIBs are characterized by high theoretical capacities due to the three electrons redox reactions. [136,137] However, the electrochemical intercalation of Al-ions into the interlayer of α-V 2 O 5 is difficult because of the strong electrostatic interaction between trivalent Al-ions and the host material. The accommodation of aluminum in α-V 2 O 5 has been reported in recent years, while the structure evolution was barely involved.…”

Recent Achievements in Experimental and Computational Studies of Positive Electrode Materials for Nonaqueous Ca- and Al-Ion Batteries

“…MD simulations, i.e., classical MD and ab initio (first-principles) MD (AIMD), are often used to complement electrode/electrolyte studies. , Classical MD simulations use classical interaction potentials between the particles in a simulation box, where the trajectories of the particles in a box are obtained by solving Newton’s equation of motion. In contrast, AIMD is based on first-principles, where the electronic structure is calculated typically using the DFT formalism at each time-step in the simulation.…”

Review of the Research Status of Cost-Effective Zinc–Iron Redox Flow Batteries

“…The power generation of renewable energy, for instance, solar and wind energy, will surely become the main energy sources of future energy strategy. However, the unique intermittence and instability of renewable energy have brought major challenges to the stable operation of the power system, opening temporal and spatial gaps between the consumption of the energy by end-users and its availability, thus, energy storage technology is an effective means that can help achieve stable and efficient renewable energy [5][6][7]. Compared with physical techniques (e.g., pumped storage), secondary batteries with higher flexibility have gradually attracted people's attention [8][9][10].…”