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

Abstract The electronic, magnetic and optical properties of N-doped WSe2 monolayers upon adsorption of glucose, dopamine and uric acid molecules are systematically investigated using density functional theory (DFT). The pristine N-doped WSe2 monolayer exhibits only trace magnetization. Molecular adsorption slightly modifies this behaviour, with magnetization enhanced by glucose and uric acid, while remaining nearly unchanged with dopamine. In contrast, adsorption strongly influences the electronic band structure and optical characteristics, as confirmed by density of states, charge density differences, and optical spectra. These findings highlight the potential of N-doped WSe2 monolayers for applications in biosensing, biomedical devices, pharmaceutical detection and nanoelectronics.