Abstract
The interaction of deoxyribonucleic acid (DNA) nucleobases thymine (T), adenine (A), cytosine (C), and guanine (G) with the SiC nanosheet (SiCNS) is studied using density functional method. All nucleobases were perpendicularly adsorbed on the SiCNS in the strength order of G > T approximate to C > A. Energy decomposition analysis shows that the interaction nature of G, T, as well as C with the SiCNS is primarily covalent. But the interaction nature of A is electrostatic. The impact of DNA nucleobases is different upon the electronic properties as well as the SiCNS conductance. The SiCNS sensor response to T, G, C, or A nucleobases is predicted to be 24.5, 57.3, 17.3, or 4.8. This illustrates that the SiCNS can selectively identify the G, A, T, and C nucleobases. The calculated recovery time of T, C, G, or A desorption from the surface of SiCNS were calculated to be approximately 0.7, 1.7, 178, and 0.2 x 10(- 3) s, respectively.