本所声明 | 网站地图 | English | RSS订阅
本站查询
 
首页 概况 研究队伍 科研成果 人才教育 院地合作 国际交流 党建 产业 期刊 图情 信息公开 所务内网
学术活动
学术报告
研究生学位论文答辩系列报告
现在位置:首页 > 新闻动态 > 学术活动 > 学术报告
1月11日学术报告
信息来源: 发布时间:2019年01月11日 【 】 【打印】 【关闭

报告题目:2D thermoelectric materials: Role of the lattice thermal conductivity

报告人:Udo Schwingenschloegl

单位沙特 阿卜杜拉国王科技大学 德籍

时间2019111日(周五)13:30-15:00

地点:溢智厅

Abstract:
We study the role of the lattice thermal conductivity in 2D thermoelectric materials by first-principles calculations. Specific examples include a comparison of Ti2CO2, Zr2CO2, and Hf2CO2 in order to evaluate the role of the metal atom. The lattice thermal conductivity is demonstrated to grow along the series Ti-Zr-Hf in the temperature range 300-700 K, resulting in the highest figure of merit in the case of Ti2CO2. Flat conduction bands promote the thermopower in the case of n-doping. Functionalization effects are studied for Sc2C, which is semiconducting for various functional groups, including O, F, and OH. The lowest lattice thermal conductivity is found for OH functionalization. Despite a relatively low thermopower, Sc2C(OH)2 therefore and due to a high electrical conductivity can be interesting for intermediate-temperature thermoelectric applications. We also discuss results on heterostructures built of MXenes and transition metal dichalcogenide monolayers. Low frequency optical phonons are found to occur as a consequence of the van der Waals bonding. They contribute significantly to the thermal transport and compensate for reduced contributions of the acoustic phonons (strong scattering in heterostructures), such that the thermal conductivities become similar to those of the constituent MXenes.


文章评论
发表评论
附件列表:
版权所有 ©2009 中国科学院上海光学精密机械研究所 沪ICP备05015387号
主办:中国科学院上海光学精密机械研究所 上海市嘉定区清河路390号(201800)(税号:121000004250121703)
转载本站信息,请注明信息来源和链接。