Density functional theory with extensive relaxation finds oxygen-covered gold surface structures with work function changes below 1.1 eV, resolving a long-standing 3 eV discrepancy with earlier DFT.
Diaz -Morales, F
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Work-function and structures of (100), (111) and (101) Au surfaces with/without oxygen
Density functional theory with extensive relaxation finds oxygen-covered gold surface structures with work function changes below 1.1 eV, resolving a long-standing 3 eV discrepancy with earlier DFT.