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A Density Functional Theory study for adsorption and sensing of 5-Fluorouracil on Ni-doped boron nitride nanotube

Numan Yüksel, Ahmet Köse, Mehmet Ferdi Fellah

2021Materials Science in Semiconductor Processing28 citationsDOI

Topics & Concepts

AdsorptionMaterials scienceDensity functional theoryGibbs free energyMoleculeDopingBoron nitrideNanotubeBasis setEnthalpyPhysical chemistryHOMO/LUMOComputational chemistryChemical physicsThermodynamicsNanotechnologyOrganic chemistryCarbon nanotubeChemistryPhysicsOptoelectronicsBoron and Carbon Nanomaterials ResearchGraphene research and applicationsFullerene Chemistry and Applications
A Density Functional Theory study for adsorption and sensing of 5-Fluorouracil on Ni-doped boron nitride nanotube | Litcius