用于快速DNA测序的BC $_3$纳米间隙中通过DNA核苷酸的电子传递
Electronic Transport through DNA Nucleotides in a BC$_3$ Nanogap for Rapid DNA Sequencing
摘要：
最近，固态纳米孔纳米间隙在超快DNA测序中产生了很多兴趣。然而，存在减缓DNA易位过程以实现单个核碱基分辨率的挑战。一系列的计算工具已经被用来研究在几个模型系统中的DNA易位。为这种人类基因组测序找到一种有效的纳米电极的前景可能会提供一种完全创新的预防性保健方式。在这里，我们研究了性能的碳化硼BC $_3$为基础的纳米间隙设置DNA测序使用密度泛函理论和非平衡格林函数为基础的方法。发现在不同施加的偏置电压下的电流变化由于核苷酸取向和横向位置的变化而显著，并且甚至可以优于石墨烯。与石墨烯电极相比，BC $_3$电极的计算的相对较低的相互作用能表明BC $_3$是用于DNA测序的更好的纳米电极。从我们的结果，我们已经发现，所有四个核苷酸的唯一识别可能在0.3至0.4 V的偏置区域。此外，四种核苷酸中的每一种都表现出大约一个数量级的电流差异，这使得可以唯一地识别所有四种核苷酸。因此，我们相信基于BC $_3$的纳米电极可用于开发用于DNA测序的实用纳米器件。
英文摘要：
Recently solid state nanopores nanogaps have generated a lot of interest in ultrafast DNA sequencing. However, there are challenges to slow down the DNA translocation process to achieve a single nucleobase resolution. A series of computational tools have been used in an attempt to study the DNA translocations in several model systems. The prospect of finding an efficient nanoelectrode for such human genome sequencing might offer an entirely innovative way of preventive health care. Here, we have studied the performance of a boron carbide BC$_3$ based nanogap setup for DNA sequencing using the density functional theory and non equilibrium Greens function-based methods. The electric current variations under different applied bias voltages are found to be significant due to changes in the nucleotides orientation and lateral position and can even outperform graphene. Computed relatively lower interaction energy for BC$_3$ electrodes compared to graphene electrodes indicates that BC$_3$ is a better nanoelectrode for DNA sequencing. From our results, we have found that the unique identification of all four nucleotides possible in the 0.3 to 0.4 V bias region. Furthermore, each of the four nucleotides exhibits around one order of current difference, which makes it possible to identify all four nucleotides uniquely. Thus, we believe that BC$_3$ based nanoelectrodes may be utilized toward the development of a practical nanodevice for DNA sequencing.
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