Recognizing molecular chirality via twisted 2D materials

Lorenzo Cavicchi, Mayra Peralta, Álvaro Moreno, Maia Vergniory, Pablo Jarillo-Herrero, Claudia Felser, Giuseppe C. La Rocca, Frank H. L. Koppens, Marco Polini
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Abstract

Chirality pervades natural processes from the atomic to the cosmic scales, crucially impacting molecular chemistry and pharmaceutics. Traditional chirality sensing methods face challenges in sensitivity and efficiency, prompting the quest of novel chiral recognition solutions based on nanophotonics. In this work we theoretically investigate the possibility to carry out enantiomeric discrimination by measuring the spontaneous emission rate of chiral molecules on twisted two-dimensional materials. We first present a general theoretical framework based on dyadic Green's functions to calculate the chiral contribution to the decay rate in the presence of a generic chiral bilayer interface. We then combine this theory with density functional theory to obtain numerical estimates of the decay rate of helical bilayer nanographene molecules placed on top of twisted bilayer graphene.
通过扭曲的二维材料识别分子手性
手性贯穿于从原子到宇宙尺度的自然过程,对分子化学和制药学产生了至关重要的影响。传统的手性传感方法在灵敏度和效率方面面临挑战,这促使人们寻求基于纳米光子学的新型手性识别解决方案。在这项工作中,我们从理论上研究了通过测量手性分子在扭曲的二维材料上的自发辐射率来进行对映体识别的可能性。我们首先提出了一个基于二元格林函数的一般理论框架,用以计算在一般手性层界面存在的情况下手性对衰减率的贡献。然后,我们将这一理论与密度泛函理论相结合,对置于扭曲双层石墨烯顶部的螺旋双层纳米石墨烯分子的衰变率进行了数值估算。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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