Sodium atoms and clusters on graphite by density functional theory
作者： K. Rytkönen , J. Akola , M. Manninen
DOI: 10.1103/PHYSREVB.69.205404
关键词: Physics 、 Charge (physics) 、 Open shell 、 Atomic physics 、 Potential energy surface 、 Density functional theory 、 Charge density 、 Atom 、 Chemical bond 、 Valence electron 、 Electronic, Optical and Magnetic Materials 、 Condensed matter physics
摘要: … with an adsorption energy of 0.51 eV. The small diffusion barrier of 0.06 eV indicates a flat … No k points were used in these calculations, but we expect a systematic shift in ΔE similar to …
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