通过调整载体度和磁场,优化碳添加h-BN单层的热电性能
1Department of Engineering Physics, Kermanshah University of Technology, Kermanshah, Iran. somayeh.behzad@gmail.com.
Scientific reports
|November 10, 2023
概括
碳兴奋剂和磁场显著改变六角化 (h-BN) 单层的热电性质. 优化这些因素可以提高热电性能,为先进的材料应用提供了途径.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
- 纳米技术纳米技术
背景情况:
- 单层六角化 (h-BN) 是电子应用的一个有前途的材料.
- 了解其热电特性对于能源采集和冷却技术至关重要.
研究的目的:
- 研究碳化对h-BN.热电性质的影响.
- 探索磁场对这些属性的影响.
- 确定最佳的兴奋剂策略,以提高热电性能.
主要方法:
- 使用了带有 Green 函数和 Kubo 形式主义的紧密结合模型.
- 使用密度函数理论 (DFT) 计算校准的紧密结合参数.
- 在不同的兴奋剂和磁场条件下分析电子特性,电导率和热容量.
主要成果:
- 碳兴奋剂和磁场显著改变电子带结构,包括子带分裂和带间隙减少.
- 兴奋剂影响状态密度 (DOS),在带间隙内产生新的峰值.
- 电导率通过双碳剂增强,但由于散射,在高磁场下降.
- 热容量显示强烈依赖磁场和杂质度.
- 电子功率图 (ZT) 和功率因子可以通过兴奋剂度和磁场强度进行调整.
结论:
- 碳兴奋剂和应用磁场可以有效地控制单层h-BN的热电特性.
- 定制兴奋剂类型,度和磁场强度可以优化热电性能.
- 这项研究为基于h-BN的热电设备的工程提供了洞察力.
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