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Methanol synthesis on a Cu(100) catalyst

✍ Scribed by János Szanyi; D. Wayne Goodman


Book ID
112403581
Publisher
Springer US
Year
1991
Tongue
English
Weight
533 KB
Volume
10
Category
Article
ISSN
1011-372X

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The mechanism of methanol synthesis from CO 2 and H 2 on Cu(100) and Zn/Cu(100) surfaces was studied using the dipped adcluster model (DAM) combined with ab initio Hartree-Fock (HF) and second-order Møller-Plesset (MP2) calculations. On clean Cu(100) surface, our calculations show that five successi