Meiling Xu

Aug 23, 2024 | link.aps.org | Bi Zhang |Jiangsu Normal |Meiling Xu |Yu Xin

The energy landscape of sodium chloride-nitrogen mixtures has been comprehensively explored to examine the ability of the formation of unknown compounds under pressures of up to 100 GPa, using swarm-intelligence structure prediction methodology and first-principles calculations. We identified a thermodynamically stable compound containing two cyclo- species under pressures exceeding 53 GPa, representing milder conditions in comparison to those requisite for pure solid nitrogen.

Aug 22, 2024 | dx.doi.org | Bi Zhang |Yu Xin |Meiling Xu |Yiming Zhang

Jan 10, 2024 | link.aps.org | Shuyi Lin |Jiangsu Normal |Meiling Xu

Topological quantum materials have significant potential for application as anode materials due to their intrinsically high electronic conductivity against perturbation from defects or impurities. In this work, we utilize a combination of a swarm-intelligence structure search method and first-principles calculations to predict the global minimum of a BeN monolayer, suggesting it as a promising nodal-line semimetal anode for Li-ion batteries.

Aug 24, 2023 | link.aps.org | Feilong Wang |Jiangsu Normal |Meiling Xu |Shuyi Lin

Popular Summary A thermodynamically stable Be2C5 monolayer has been proposed as a potential Dirac anode material for potassium-ion batteries using a combination of structure prediction methods and first-principles calculations. The Be2C5 anode showcases a high energy density, which can be attributed to its high specific capacity and low average open-circuit voltage.