Structure and stability of Mo-doped Cu (n = 1–12) clusters: DFT calculations
Peter L. Rodríguez‐Kessler, Alvaro Muñoz‐Castro
Topics & Concepts
Icosahedral symmetryChemistryDopingBinding energyDensity functional theoryCrystallographyAnnealing (glass)Fragmentation (computing)Molecular physicsComputational chemistryAtomic physicsCondensed matter physicsThermodynamicsPhysicsOperating systemComputer scienceAdvanced Chemical Physics StudiesCatalytic Processes in Materials ScienceCopper-based nanomaterials and applications