论文标题
使用光诱导溶剂化动力学在纳米级处的自我疗法
Self-thermophoresis at the nanoscale using light induced solvation dynamics
论文作者
论文摘要
将微武器缩小到纳米级，并使用光作为外部控制的燃料，是主动物质领域的两个重要目标。在这里，我们证明了使用全原子分子动力学模拟，可以使用溶剂弛豫，即荧光团的可见光电子激发后诱导的溶剂动力学，可用于推动浸入极性溶剂中的纳米颗粒。我们表明，在液态水中用荧光团分子功能功能化的富勒烯在外部激发下显示出很大的增强迁移率，并且推进速度与耗散到系统中的功率成正比。我们表明，推进机制在定量上与自疗的分子尺度实例一致。还讨论了使用限制环境将功能化富勒烯转移到给定方向的策略。
Downsizing microswimmers to the nanoscale, and using light as an externally controlled fuel, are two important goals within the field of active matter. Here we demonstrate using all-atom molecular dynamics simulations that solvation relaxation, the solvent dynamics induced after visible light electronic excitation of a fluorophore, can be used to propel nanoparticles immersed in polar solvents. We show that fullerenes functionalized with fluorophore molecules in liquid water exhibit substantial enhanced mobility under external excitation, with a propulsion speed proportional to the power dissipated into the system. We show that the propulsion mechanism is quantitatively consistent with a molecular scale instance of self-thermophoresis. Strategies to direct the motion of functionalized fullerenes in a given direction using confined environments are also discussed.
