In this issue of Chem, Zhang et al. use first-principle simulations (i.e., no empirically adjustable parameters) to elucidate the detailed mechanisms of plasmon-induced hot-carrier transfer at a heterojunction interface between a plasmonic gold nanomaterial and a semiconductor. Together with earlier work by Long and Prezhdo, this study shows how the donor-acceptor interaction at the interface determines the mechanism by which plasmonic excitations lead to hot-electron transfer at interfaces.

中文翻译：

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模拟等离激元引起的热载流子传输

在本期《化学》杂志上，Zhang等人。使用第一性原理模拟（即，没有经验上可调节的参数）阐明在等离激元金纳米材料和半导体之间的异质结界面处由等离激元引起的热载流子转移的详细机制。连同Long和Prezhdo的早期工作，该研究表明界面处的供体-受体相互作用如何确定等离激元激发导致界面处热电子转移的机理。