Journal of Nanoparticle Research ( IF 2.1 ) Pub Date : 2021-08-16 , DOI: 10.1007/s11051-021-05295-1 Sheida Bagherzadeh-Nobari 1 , Reza Kalantarinejad 2
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Detection of DNA hybridization with high sensitivity and accuracy plays a major role in clinical diagnosis and treatment. Despite intense experimental studies of graphene field effect transistor as DNA hybridization detector, the mechanism of detection and changes in the electrical properties of the device is not investigated in detail. To this end, we have investigated an armchair graphene nanoribbon (AGNR) interconnected between gold electrodes as a detector of DNA hybridization. Using non-equilibrium Green’s function method and density functional theory, the effect of 1-pyrenebutanoic acid succinimidyl ester (PBASE) linker, probe, and target DNA on the electrical properties of the device has been investigated at zero bias voltage. The results show that, after functionalization of AGNR with PBASE, the conductance of the device increases while functionalization with probe and target DNA leads to a decrease in conductance. The changes in the projected density of states on the AGNR and transmission around Fermi energy are the reason for the change in conductance of the system. In all cases, both charge transfer and electrostatic gating are responsible for the change in the electrical properties of the system. The results show that our device detects DNA hybridization with a sensitivity of 10% at zero bias voltage, and by applying a suitable gate voltage, it can show higher sensitivity.
Graphical abstract
中文翻译：
使用功能化石墨烯场效应晶体管实时无标记检测 DNA 杂交：理论研究
高灵敏度、高准确度的DNA杂交检测在临床诊断和治疗中发挥着重要作用。尽管对石墨烯场效应晶体管作为 DNA 杂交检测器进行了大量的实验研究，但检测机制和器件电性能的变化尚未得到详细研究。为此，我们研究了金电极之间互连的扶手椅石墨烯纳米带（AGNR）作为 DNA 杂交的检测器。利用非平衡格林函数方法和密度泛函理论，研究了零偏压下1-芘丁酸琥珀酰亚胺酯（PBASE）接头、探针和目标DNA对器件电性能的影响。结果表明，用PBASE对AGNR进行功能化后，器件的电导增加，而用探针和目标DNA进行功能化则导致电导降低。 AGNR 上的投影态密度和费米能量周围的传输的变化是系统电导变化的原因。在所有情况下，电荷转移和静电门控都会导致系统电性能的变化。结果表明，我们的装置在零偏压下检测DNA杂交的灵敏度为10%，并且通过施加合适的栅极电压，可以表现出更高的灵敏度。
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