Freitas Ângela, Baptista Manuela C, Braga Maria Helena
Department of Engineering Physics, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias, 4200-465 Porto, Portugal.
MatER, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias, 4200-465 Porto, Portugal.
Int J Mol Sci. 2024 Nov 26;25(23):12694. doi: 10.3390/ijms252312694.
Solid-state batteries offer significant advantages but present several challenges. Given the complexity of these systems, it is good practice to begin the study with simpler models and progressively advance to more complex configurations, all while maintaining an understanding of the physical principles governing solid-state battery operation. The results presented in this work pertain to cells without traditional electrodes, thus providing a foundation for guiding the development of fully functional solid-state cells. The open circuit voltage (OCV) of the Cu/NaBaClO composite in a cellulose/Zn pouch cell achieves 1.10 V, reflecting the difference in the chemical potentials of the current collectors (CCs), Zn and Cu, serving as electrodes. After 120 days, while set to discharge, conversely to what was expected, a higher potential difference of 1.13 V was attained (capacity of 5.9 mAh·g). By incorporating a layer of carbon felt, the OCV became 0.85 V; however, after 95 days, the potential difference increased to 1.20 V. Ab initio simulations were additionally performed on a Cu/NaClO/Zn heterojunction showing the formation of dipoles and the Na deposition on Zn which is demonstrated experimentally. The sodium plating on the negative CC (Zn) takes place as the cell is set to discharge at room temperature but is not observed at 40 °C.
固态电池具有显著优势,但也存在一些挑战。鉴于这些系统的复杂性,从更简单的模型开始研究并逐步推进到更复杂的配置是一种良好的做法,同时要始终理解固态电池运行所遵循的物理原理。这项工作中呈现的结果涉及没有传统电极的电池,从而为指导全功能固态电池的开发奠定了基础。纤维素/锌软包电池中铜/氯酸钠钡复合材料的开路电压(OCV)达到1.10 V,反映了用作电极的集流体(CCs)锌和铜的化学势差异。120天后,在设置为放电时,与预期相反,获得了更高的1.13 V电位差(容量为5.9 mAh·g)。通过加入一层碳毡,开路电压变为0.85 V;然而,95天后,电位差增加到1.20 V。此外,对铜/次氯酸钠/锌异质结进行了从头算模拟,显示了偶极子的形成以及钠在锌上的沉积,这在实验中得到了证实。当电池在室温下设置为放电时,负集流体(锌)上会发生钠电镀,但在40℃时未观察到。