A semi‐analytical theoretical model is presented, which describes the operation of a selective molecular sensor employing a double resonance between a dipole‐active molecular vibration mode, tunable surface plasmons in a periodic structure of graphene nanoribbons (NRs), and the incident light, in the THz‐to‐IR range, used for testing. The model is based on the solution of Maxwell's equations for the NR structure deposited on a dielectric substrate, using the electromagnetic Green's function, and is extended to the case of an additional (buffer) layer present between the NRs and the substrate. Both the graphene NRs and the layer of adsorbed molecules are considered as 2D, since their thicknesses are very small in comparison with the wavelength of the incident light. The model is applied to different molecular systems, the protein studied by Rodrigo et al. [Science 2015, 349, 165], for which an excellent agreement with experimental data is obtained, and an organometallic molecule Cd(CH3)2. Two different assumptions concerning the way of sticking of the analyte molecules to the sensor's surface are considered and the limitations of these sensing principles are discussed.

In article number http://doi.wiley.com/10.1002/pssb.202200055, André Souto, Diogo Cunha, and Mikhail I. Vasilevskiy present a semi‐analytical theoretical model which describes the operation of a selective molecular sensor employing a double resonance between a dipole‐active molecular vibration, electrically tunable surface plasmons in a periodic structure of graphene nanoribbons, and the incident light in the terahertz‐to‐infrared range. The model is based on the solution of Maxwell’s equations for the nanoribbon structure deposited on a dielectric substrate with an additional dielectric layer between the bottom gate and the nanoribbons. The thickness of this layer can be adjusted in order to enhance, via constructive interference, the plasmonic resonance (see figure) and, consequently, the sensing platform–analyte coupling. – This article belongs to the Special Section “Mathematical Modelling in Materials Science of Electronic Components” (see Guest Editorial by Nikolai A. Sobolev and Karine K. Abgaryan, article number http://doi.wiley.com/10.1002/pssb.202200505).

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