| Publons ID | 37933893 |
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| Wos ID | WOS:000296085700057 |
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| Doi | 10.1143/JJAP.50.105602 |
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| Title | Favorable Pathway of O<sub>2</sub> Dissociative Adsorption on a Single Platinum Adatom Coated on Gamma-Alumina (111) Surface: A Density Functional Theory Study |
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| First Author | Cahyanto, Wahyu Tri; Oemry, Ferensa; Padama, Allan Abraham B.; |
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| Last Author | Tashiro, Yoshihisa |
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| Authors | Cahyanto, WT; Oemry, F; Padama, AAB; Sakaue, M; Belkada, R; Aspera, SM; Chikaishi, M; Kunikata, S; Nakanishi, H; Kasai, H; Maekawa, H; Osumi, K; Tashiro, Y; |
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| Publish Date | OCT 2011 |
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| Journal Name | JAPANESE JOURNAL OF APPLIED PHYSICS |
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| Citation | 2 |
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| Abstract | We have investigated the dissociative adsorption process of O-2 (oxygen molecule) on a composite surface formed by coating a single platinum (Pt) adatom on a gamma-alumina (gamma-Al2O3) (111) surface. This process is studied by using density functional theory (DFT) and described in terms of potential energy surfaces (PES) with respect to the molecular degrees of freedom. We compare the activation barriers and adsorption energies among typical reaction channels. Our results show that O-2 dissociative adsorption is preferably occurred when this O-2 molecule approaches the surface with molecular orientation inclined by 30 degrees angle with respect to the surface normal, i.e., the condition with lowest activation barrier. The results indicate that dissociated O atoms are likely to form strong bonds with the Pt adatom by keeping distance from the alumina layer. (C) 2011 The Japan Society of Applied Physics |
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| Publish Type | Journal |
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| Publish Year | 2011 |
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| Page Begin | (not set) |
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| Page End | (not set) |
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| Issn | 0021-4922 |
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| Eissn | |
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| Url | https://www.webofscience.com/wos/woscc/full-record/WOS:000296085700057 |
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| Author | WAHYU TRI CAHYANTO, S.Si, M.Si, Ph.D |
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| File | 19481.pdf |
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