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Understanding the Temperature Dependence of the Seebeck Coefficient from First-Principles Band Structure Calculations for Organic Thermoelectric Materials 被引量:1
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作者 Ran Liu Yufei Ge +1 位作者 Dong Wang Zhigang Shuai 《CCS Chemistry》 CAS 2021年第10期1477-1483,共7页
The Seebeck effect measures the electric potential built up in materials under a temperature gradient.For organic thermoelectric materials,the Seebeck coefficient shows more complicated temperature dependence than con... The Seebeck effect measures the electric potential built up in materials under a temperature gradient.For organic thermoelectric materials,the Seebeck coefficient shows more complicated temperature dependence than conventional systems,with both monotonic increases and nonmonotonic behavior,that is,first increasing and then decreasing.The mechanism behind the phenomenon is intriguing.Through first-principles calculations coupled with the Boltzmann transport equation,we demonstrate typical trends of the Seebeck coefficient with respect to temperature through band structure analysis. 展开更多
关键词 org anic thermoelectric materials See-beck coefficient band structure calculation ambi-polar t he rmoe lectric trans port Boltzmann tr ansport equation
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