Adsorption of glucose, dopamine, and uric acid on N-doped WSe2 monolayers: Potential applications

The electronic, magnetic, and optical properties of N-doped WSe2
monolayers and their adsorption with glucose, dopamine, and uric acid
molecules are systematically investigated using density functional theory
(DFT) via the Vienna Ab initio Simulation Package (VASP). All systems are
found to be structurally stable and exhibit magnetic metallic behavior.
While intrinsic magnetism in the N-doped WSe2 is weak, it increases upon
adsorption of glucose and uric acid, and remains nearly unchanged with
dopamine. Detailed analyses of partial density of states, charge density
differences, dielectric functions, absorption coefficients, and joint
density of states (JDOS) reveal notable variations across adsorption
configurations. These findings highlight the potential of N-doped WSe2
monolayers for applications in biosensing, biomedical devices,
pharmaceutical detection, and nanoelectronics.