Fig. 4
H2 formation efficiencies when squared barriers (ϵ1) and DFT barriers (ϵ2) are considered to enter in chemisorbed sites. The mechanisms important for the formation of H2 are M1 (2 physisorbed atoms), M2 (direct chemisorption with H monomer), M3 (direct chemisorption with H dimer) and M5 (physisorbed atom entering chemisorbed sites with H dimer) .
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