Silver-graphene quantum dots are promising electrochemical sensors due to their unique electronic properties. Herein, we report the comprehensive DFT study to explore the electronic properties of silver cluster (Ag₆) decorated coronene as model for silver graphene quantum dots. The current study aims to investigate the sensing ability of silver-coronene complex for non-enzymatic electrochemical detection of glucose & H₂O₂. The stability of the complexes of analytes with silver decorated coronene is supported by their greater interaction energies (−36.7 to −44.9 kcal mol⁻¹)_. NBO charge analysis and charge decomposition analysis (CDA) reveal donor-acceptor charge transfer interactions in the complexes. Frontier molecular orbital analysis illustrates that charge is transferred from analytes to silver decorated coronene during excitation from HOMO to LUMO. The Uv–visible results show that ${\mathrm{\lambda }}_{\text{max}}$ is red shifted during interactions of analytes with silver decorated coronene. The NCI analysis illustrates the strong non-covalent (M … O) and unusual M … H–O interactions in the complexes. The precedent sensing performance of Ag₆-coronene might be attributed to the synergistic effect of both silver clusters and coronene in the composite. The evaluated results validate the excellent sensing ability of silver-graphene quantum dots for the detection of glucose & H₂O₂. The outcome of the current study and its prospects will open the avenue for the rational development of smart sensors.

银石墨烯量子点由于其独特的电子特性而成为有前途的电化学传感器。在这里，我们报告了全面的DFT研究，以探索银团簇（Ag ₆）修饰的异戊二烯作为银石墨烯量子点模型的电子性能。当前的研究目的是研究银-二茂铁配合物对葡萄糖和H ₂ O _2的非酶电化学检测的感测能力。具有更大的相互作用能（-36.7至-44.9 kcal mol ^-1）支持分析物与装饰有银的环氧戊烷的配合物的稳定性_。NBO电荷分析和电荷分解分析（CDA）揭示了配合物中的供体-受体电荷转移相互作用。前沿分子轨道分析表明，在从HOMO激发到LUMO的过程中，电荷从分析物转移到了装饰有银的异戊二烯。可见的结果表明${\mathrm{\lambda }}_{\text{最高}}$在分析物与装饰有银的异戊二烯相互作用期间会发生红移。NCI分析说明了复合物中强烈的非共价键（M…O）和异常的M…H–O相互作用。Ag _6-异戊二烯的先例传感性能可能归因于复合物中银团簇与异戊二烯的协同效应。评估结果证实了银石墨烯量子点对葡萄糖和H ₂ O ₂的检测具有出色的检测能力。本研究的结果及其前景将为智能传感器的合理开发开辟道路。