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The authors should explain the big difference between the value of ∆Gºads (28.3kJ/mol) and Ebinding (144.44kcal/mol) of which value is about the first ionization energy of iron (181kcal/mol!!!). Éó¸åÈ˵ÄÒâ˼ÊÇÈÃС˶½âÊͼª²¼Ë¹×ÔÓÉÄܺͽáºÏÄÜÖ®¼äÓдóµÄ²î±ð£¬²¢ÇÒ½áºÏÄܺÍÌúµÄµÚÒ»µçÀëÄܲ¶à¡£Ð¡Ë¶Ë®Æ½ÓÐÏÞ£¬¸Ð¾õÕâÓйØϵ£¬µ«ÊÇÒ²²»Äܸø³ö¼¸¸öÄÜÁ¿Ö®¼ä²îÒìµÄºÏÀí½âÊÍ¡£¹òÇó°¡£¬¿¿ÎÄÕ±ÏÒµ~~
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∆E = ET − Ecatalyst − Eadsorbate
∆G = ∆E + ∆ZPE− T∆S + ∆GU
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