CAJ | 학술논문

利用Landauer-Büttiker公式对金属导线/单臂纳米碳管/金属导线结构的热电传输进行理论计算.在有限温度梯度下,利用迭代法计算非线性热电势和热电导,研究表明,热电势和热电导与系统电子的传输行为密切相关,热电势随系统化学势的变化而振荡,且可为正也可为负值,这种行为完全依赖于电子电导的变化.研究结果对分子器件热传输的实际应用有意义.
이용Landauer-Büttiker공식대금속도선/단비납미탄관/금속도선결구적열전전수진행이론계산.재유한온도제도하,이용질대법계산비선성열전세화열전도,연구표명,열전세화열전도여계통전자적전수행위밀절상관,열전세수계통화학세적변화이진탕,차가위정야가위부치,저충행위완전의뢰우전자전도적변화.연구결과대분자기건열전수적실제응용유의의.
The thermal transport of a single-walled metallic carbon nanotube connected by two metallic leads was studied with Landauer-Büttiker formula.The thermoelectric power and thermal conductance in nonlinear regime with a temperature gradient were calculated.The thermoelectric power and thermal conductance are closely related to system transport behavior.The thermoelectric power oscillates with chemical potential,can be either negative or positive.These results allow us to expect that thermal transport properties of molecular devices have much to offer for practical applications.