Catechol sensor based on pristine and transition metal embedded holey graphyne: a first-principles density functional theory study
Seetha Lakshmy, Ajit Kundu, Nandakumar Kalarikkal, Brahmananda Chakraborty
Abstract
MD simulations confirmed the structural stability of the Sc + hGY system at room temperature. We strongly believe that this theoretical work will aid the experimentalists in designing and developing 2D semiconducting nanolayer-based biosensors for commercial purposes.
Topics & Concepts
GraphyneDensity functional theoryCatecholMonolayerMaterials scienceTransition metalAdsorptionBiosensorBiomoleculeMetalNanotechnologyChemical physicsComputational chemistryChemistryPhysical chemistryOrganic chemistryCatalysisMetallurgyGraphene research and applications2D Materials and ApplicationsAdvanced biosensing and bioanalysis techniques