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基于分子线耦合到电极的构成特点,采用简化的非对称多势垒连续隧穿模型模拟复合分子器件偏压下的电子隧穿过程,推导电子透射谱的解析表达式,同时计算垒宽、垒距、垒高、电子有效质量和所加偏压等参数与透射系数的关系,结果发现:当电子的能量为某些值时,出现明显的共振隧穿,且透射系数对这些参数的变化非常敏感,这表明可以通过适当的控制方式(如改变复合分子组成、构型等)来修改分子电子器件的输运性质.
Based on the characteristics of molecular coupling to the electrode, a simplified asymmetric multi-barrier continuous tunneling model is used to simulate the electron tunneling process under the bias voltage of the composite molecular device to derive the analytic expression of the electron transmission spectrum. The results show that: when the energy of electrons is some value, obvious resonance tunneling appears, and the change of transmission coefficient to these parameters is very much Sensitive, indicating that the transport properties of the molecular electronic device can be modified by appropriate control (eg, changing the composition of the composite molecule, configuration, etc.).