Narrow Results

Despite the extensive use of graphene-based materials in K-ion batteries, the effects of various edge morphologies of graphene on K atom adsorption and diffusion are unclear. In this study, the effects of K atom adsorption and diffusion on zigzag graphene nanoribbons (ZGNRs) with hydrogen (−H), ketone (=O), hydroxyl (−OH), and carboxyl (−COOH) terminal groups were investigated by density functional theory calculations. ZGNRs terminating with −H, =O and −COOH promote K atom adsorption, whereas those terminating with −OH suppress it. The −H, =O, −OH and −COOH terminations have a negligible effect on K atom diffusion in the inner region of ZGNRs. In the edge region, the diffusion barriers are nearly unchanged for −H and −OH terminations; however, they are increased for =O and −COOH terminations in the edge region compared to those in the inner region. All the terminal groups hinder K atom diffusion from the edge region toward the inner region. Our results suggest that −H termination enhances K atom adsorption and has a negligible effect on the diffusion barrier of K atom in the edge region. Therefore, the ZGNR with −H termination could be a promising candidate for K-ion batteries.

In this paper, the effects of plasmas on the S-wave resonance states in the positron-potassium system are investigated. Two different plasma conditions are considered, namely weakly coupled classical plasma (WCCP) and dense quantum plasma (DQP). The effective interaction potential in WCCP and DQP has been described by the Debye–Hückel model (static screened Coulomb potential) and a modified version of Debye–Hückel model (exponential cosine screened potential). Resonance parameters are determined by calculating the energy-density within the framework of the stabilization method. For the plasma-free case, three states, lying below the Ps$(n=2)$ threshold, are identified. The energy and the width agree well with the existing results in the literature. A detailed study is carried out to explore the changes emerging in the resonance parameters due to screening effects of WCCP and DQP. It is found that the energies of the three states are gradually pushed toward the Ps$(n=2)$ threshold due to the increasing plasma screening strength, whereas widths of the states vary differently.