标题： 宽高比控制金纳米砖中的热载流子生成 显示英文标题

标题： Aspect ratio controls hot-carrier generation in gold nanobricks

摘要： 在金属纳米颗粒中，由局域表面等离激元衰减产生的高能电子和空穴在光催化、光伏和传感等领域具有广阔的应用前景。 在此，我们使用一种最近开发的建模方法，将求解麦克斯韦方程组与大规模紧束缚模拟相结合，以评估费米黄金规则，研究砖形金纳米颗粒中热载流子的生成。 我们发现，热载流子的生成对纳米砖的长宽比非常敏感，较扁平的纳米砖无论光的偏振方向如何，都能产生大量高能电子。 相反，伸长型纳米砖的热载流子生成速率对光的偏振方向表现出强烈的依赖性。 我们计算所得的见解可以用于设计具有特定器件应用所需特性的热载流子的纳米砖。 显示英文摘要

摘要： Energetic or "hot" electrons and holes generated from the decay of localized surface plasmons in metallic nanoparticles have great potential for applications in photocatalysis, photovoltaics, and sensing. Here, we study the generation of hot carriers in brick-shaped gold nanoparticles using a recently developed modelling approach that combines a solution to Maxwell's equation with large-scale tight-binding simulations to evaluate Fermi's Golden Rule. We find that hot-carrier generation depends sensitively on the aspect ratio of the nanobricks with flatter bricks producing a large number of energetic electrons irrespective of the light polarization. In contrast, the hot-carrier generation rates of elongated nanobricks exhibits a strong dependence on the light polarization. The insights resulting from our calculations can be harnessed to design nanobricks that produce hot carriers with properties tailored to specific device applications.