Department of Electronics & Communication Engineering, B. P. Poddar Institute of Management & Technology, 137, V. I. P Road, Kolkata, West Bengal, 700052, India.
Department of Computer Science & Engineering, Maulana Abul Kalam Azad University of Technology, NH-12(Old NH-34), Haringhata, Post Office - Simhat, P.S. - Haringhata, Nadia, West Bengal, 741249, India.
J Mol Model. 2021 Jan 7;27(2):23. doi: 10.1007/s00894-020-04623-x.
One of the emerging areas of today's research arena is molecular modeling and molecular computing. The molecular logic gate can be theoretically implemented from single-strand DNA which consists of four basic nucleobases. In this study, the electronic transmission characteristics of DNA chain are investigated to form the logic gate. This biomolecular single-strand DNA chain is passed through an electrically doped gallium-arsenide nano-pore to achieve reasonably improved transmission along <1 1 1> direction. Current-voltage characteristic and device density of states with HOMO-LUMO plot of the device are explained along with the conductivity of the device to confirm the characteristics of some important logic gates like a universal gate. Ultimately the property of resistivity proves the law of Boolean logic of AND gate and universal logic gate, viz., NAND and NOR gate. All the electronic properties of the Boolean logic gate are explored based on the first principle approach by non-equilibrium Green's function coupled with density functional theory in room temperature.
当今研究领域的一个新兴领域是分子建模和分子计算。分子逻辑门可以从由四个基本碱基组成的单链 DNA 理论上实现。在这项研究中,研究了 DNA 链的电子传输特性,以形成逻辑门。将这种生物分子单链 DNA 穿过电掺杂的砷化镓纳米孔,以沿着 <1 1 1> 方向实现合理改善的传输。通过器件的电流-电压特性和密度状态图以及器件的电导率,解释了器件 HOMO-LUMO 图,以确认一些重要逻辑门(如通用门)的特性。最终,电阻率的特性证明了与门和通用逻辑门(即 NAND 和 NOR 门)的布尔逻辑定律。所有布尔逻辑门的电子特性都是基于非平衡格林函数与密度泛函理论相结合的第一性原理方法在室温下进行探索的。