Modeling and detecting method of electroluminescence spectrum of single-molecule photoelectric device

Abstract

The invention discloses a method for detecting an electroluminescent spectrum of a single-molecule photoelectric device. The method comprises the following steps: 1, dividing the single-molecule photoelectric device into a first electrode region, a second electrode region and a single-molecule device core region between a first electrode and a second electrode; secondly, bias voltage is applied to the first electrode and the second electrode, and unbalanced distribution of device carriers under the condition that photoelectric interaction is not considered is obtained by considering atomic details of single molecules and the electrodes on the basis of the density functional theory of tight bound approximation; thirdly, on the basis of the simulation, an excitation spectrum of an optical mode of the nano cavity in the core region is further obtained; finally, interaction of photons and carriers is introduced, unbalanced distribution of the carriers of the device is obtained through self-consistent solution, and then the electroluminescent spectrum of the device is obtained. The device structure with atomic-scale precision can be described, and the optical property of the monomolecular device is considered, so that the precise luminescent spectrum of the monomolecular device can be obtained.

Description

technical field [0001] The invention relates to the field of nanophotonics, in particular to a modeling and detection method for the electroluminescence spectrum of a single-molecule photoelectric device. Background technique [0002] Optoelectronic devices have a wide range of applications in the fields of sensors, communications and renewable energy technologies. Generally, they can be classified into two categories according to the direction of energy conversion. One is a photovoltaic device that converts the sun's energy directly into electricity. Another is devices such as light-emitting diodes (LEDs), which convert electrical energy into light. Recently, a new generation of photovoltaic devices with high power conversion efficiency based on semiconductors such as nanowires have been realized using advanced semiconductor manufacturing techniques. In addition, tunable nanoemitters based on quantum dots and two-dimensional materials (such as MoS2, graphene nanoribbons ...

AI Technical Summary

Problems solved by technology

However, all these methods are based on semi-classical model systems, which cannot accurately describe the interaction of atomic details between electrodes and devices, the coupling between photons and devices

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