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Published online by Cambridge University Press: 25 February 2011
First-principles calculations and corresponding experimental results underline the importance of basic chemical concepts in understanding bonding and diffusion of atoms at and on metal surfaces. Examples discussed include the outward relaxation of clean Be(0001), the separation energies of metal-adatom dimers, concerted substitutional self-diffusion on fcc(001) and (110) surfaces, and adsorption and diffusion barrier sites for adatoms near steps.