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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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1 under_review.pdf
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2 published.pdf
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3 L1_projekt_2021.pdf
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4 bukti_korespondensi_effect_of.pdf
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5 Effect of Pt cluster size on CO (1).pdf
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6 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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