EFFECTOF SCANDIUMON HIDROGENDISSOCIATIONENERGYAT MAGNESIUM SURFACE: AS INITIO DFT STUDY
ABSTRACT The dissociative chemisorption of hydrogen on both pure and Sc-incorporated Mg(0001) surfaces have been studied by ab initio density functional theory (OFT) calcqlation. The calculated dissociation energy of hydrogen molecule on a pure Mg(0001) surface (1.200 eV) is in good agreement with c...
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| Format: | Article NonPeerReviewed |
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[Yogyakarta] : Universitas Gadjah Mada
2010
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| Online Access: | https://repository.ugm.ac.id/28078/ http://i-lib.ugm.ac.id/jurnal/download.php?dataId=11141 |
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| Institution: | Universitas Gadjah Mada |