材料科学
阳极
碳化硅
硅
锂(药物)
半导体
带隙
钠
碳化物
开路电压
航程(航空)
纳米技术
光电子学
化学工程
电压
冶金
电气工程
复合材料
物理化学
化学
工程类
电极
医学
内分泌学
作者
Nicolas F. Martins,Guilherme S.L. Fabris,Ary S. Maia,Anderson R. Albuquerque,Júlio R. Sambrano
出处
期刊:FlatChem
[Elsevier]
日期:2022-09-01
卷期号:35: 100410-100410
被引量:6
标识
DOI:10.1016/j.flatc.2022.100410
摘要
Sodium-based batteries are a viable alternative due to the abundance of Na in the environment and their higher sustainability compared to traditional lithium batteries. In this sense, density functional simulations were carried out to investigate the efficiency of the inorganic graphenylene-like silicon carbide (IGP-SiC), a semiconductor with a band gap energy of 3.22 eV, as a promising anode for sodium-based batteries, with a specific capacity of 610.46 mAh.g−1 and an atomic proportion of Na1.92SiC without the metal clustering process. Also is revealed that IGP-SiC exhibits conductive behavior with the first approximation of a Na atom. A range of 1.65 eV − 1.12 eV on Open-Circuit Voltage, an essential parameter in the commercial exploitation of batteries, was verified.
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