ACADSTAFF UGM
| Title | : | Effect of Pt Cluster Size on CO2 Adsorption and Activation on (110) and (100) γ-Alumina Surfaces: Insights from DFT using a Periodic Boundary Approach |
| Author | : |
Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (1) HANAN RIZAL W (2) |
| Date | : | 0 2022 |
| Keyword | : | CO2, DFT,?-alumina,Pt Cluster,Adsorption and activation of CO2 CO2, DFT,?-alumina,Pt Cluster,Adsorption and activation of CO2 |
| Abstract | : | We performed a structural investigation on the adsorption and activation of CO2 molecules on different sized Pt clusters to study the effect of Pt cluster size on CO2 adsorption. Several Ptx clusters (x = 1–5 and 13) were analyzed to represent metal dispersion on surfaces and nanoscale metal clusters. For (110) γ-alumina surfaces, the Pt2 cluster site was the most stable. In addition, the Pt3 cluster site was the most stable for CO2 adsorption on Pt/Al2O3. Charge transfer from Pt clusters to CO2 was critical for CO2 activation. |
| Group of Knowledge | : | Kimia |
| Original Language | : | English |
| Level | : | Internasional |
| Status | : |
Published
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published.pdf
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Effect of Pt cluster size on CO2 adsorption and activation on (110) and (100) ??alumina surfaces_ insights from DFT using a periodic boundary approach.pdf
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