Abstract
We reported the mechanism of DNA base adenine adsorption on Cadmium doped Graphene by implementing density functional theory (DFT). Our theoretical investigation reveals the structural and electrical features of the complicated, complex, biological system of Graphene-Adenine (Gr-A) depending on the Cadmium (Cd) atom. The DNA chemical base Adenine is adsorbed on pristine Graphene; However, significant chemisorption is observed on Cd-doped Graphene. We successfully reported the transfer of charge, Highest Occupied Molecular Orbital -Lowest Unoccupied Molecular Orbital (HOMO-LUMO), and Density of State (DOS). The findings showed that the reduction in the HOMO-LUMO gap values had rosined the electrical conductivity values of the Cd-doped Graphene following the adsorption of the Adenine base. The current study revealed that the graphene adsorption capacity for Adenine could be enhanced by doping the Cadmium (Cd) dopant. As a result, Cd-doped graphene was introduced as a strong adsorbent for biosensor applications in various fields.
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