Enhanced catalytic activity of α-Fe2O3 with the adsorption of gases for ammonia synthesis
Ab initio density functional theory employed to study the adsorption of hydrogen and nitrogen gas molecule on the α-Fe2O3 (111) surface for ammonia synthesis. The calculated adsorption energy is-4.70kcal/mol,-4.60kcal/mol,-4.38kcal/mol and-3.77kcal/mol for different orientations of adsorbed gas mole...
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| Main Authors: | , , , , , |
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| Format: | Article |
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Trans Tech Publications Ltd
2017
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| Online Access: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85002374067&doi=10.4028%2fwww.scientific.net%2fMSF.880.15&partnerID=40&md5=f41ede30e16e3ecf0617bde36bc19821 http://eprints.utp.edu.my/20313/ |
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