DNA核碱基相互作用驱动的DNA测序装置用硒化镓单分子膜电子和光学指纹
DNA Nucleobase Interaction Driven Electronic and Optical Fingerprints in Gallium Selenide Monolayer for DNA Sequencing Devices
摘要：
在密度泛函理论框架下，采用vdW泛函研究了DNA碱基与单层GaSe的相互作用。我们发现，核碱基的物理吸附的GaSe单层。每个原子的结合能大小顺序为C > T > G > A。室温恢复时间估计最大为113.88微秒。对于T+GaSe，指示基于GaSe的设备的可重用性。在模拟的STM测量中已清楚地捕获了GaSe电子结构的调制。我们还证明了量子电容作为传感应用的关键参数。此外，在光学性质中，电子能量损失（EEL）谱显示在紫外区的核碱基吸附的光子能量的红移。概括地说，GaSe单层膜在紫外区表现出各向异性的光学响应，这对于开发偏振光学传感器非常有益。我们的研究结果表明，硒化镓单层可以用来制造可重复使用的DNA测序装置的生物技术和医学科学。
英文摘要：
The interaction of DNA nucleobases with monolayer GaSe has been studied with in DFT framework using vdW functional. We found that nucleobases are physisorbed on the GaSe monolayer. The order of binding energy per atom is C > T > G > A. The room temperature recovery time estimated to be maximum of 113.88 micro sec. for T+GaSe indicting reusability of the GaSe based devices. The modulation in the electronic structures of GaSe has been clearly captured within the simulated STM measurements. We also demonstrate quantum capacitance as a key parameter for sensing applications. Furthermore, in optical properties, electron energy loss (EEL) spectra show red shift in photon energy on nucleobase adsorption in UV region. In nutshell, GaSe monolayer exhibit anisotropic optical response in UV-region which can be highly beneficial for developing polarized optical sensors. Our results demonstrate that GaSe monolayer can be utilized to fabricate reusable DNA sequencing devices for biotechnology and medical science.
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