Thermal smearing in DFT calculations: How small is really small? A case of La and Lu atoms adsorbed on graphene
Vladimir A. Basiuk, Oleg V. Prezhdo, Elena V. Basiuk
Topics & Concepts
Materials scienceGrapheneAtom (system on chip)Cluster (spacecraft)Spin (aerodynamics)Atomic physicsDensity functional theoryYield (engineering)Charge (physics)Molecular physicsCondensed matter physicsPhysicsThermodynamicsNanotechnologyQuantum mechanicsProgramming languageEmbedded systemComputer scienceMetallurgyGraphene research and applicationsAdvanced Chemical Physics StudiesAdvancements in Battery Materials