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
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 cluster...
محفوظ في:
| المؤلفون الرئيسيون: | , |
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| التنسيق: | مقال PeerReviewed |
| اللغة: | English |
| منشور في: |
Springer Science and Business Media Deutschland GmbH
2022
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| الموضوعات: | |
| الوصول للمادة أونلاين: | https://repository.ugm.ac.id/284449/1/Prasetyo_MIPA.pdf https://repository.ugm.ac.id/284449/ https://link.springer.com/article/10.1007/s00894-022-05126-7 https://doi.org/10.1007/s00894-022-05126-7 |
| الوسوم: |
إضافة وسم
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| المؤسسة: | Universitas Gadjah Mada |
| اللغة: | English |
| الملخص: | 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. |
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