Project summary

The main goal of this project pertained to the study of carbon monoxide (CO) intercalation and reactions involving CO (insertion, oxidation and desorption) with the aim to synthesize hydrogen or alkanes (Fischer-Tropsch reaction) at the graphene (Gr)/Pt(001) surface, by way of high resolution XPS, NEXAFS, LEED, STM and TPD methods, using synchrotron radiation. This study will provide fundamental insight and the possibility to determine insertion sites and reaction pathways together with relevant parameters such as adsorption energy, energy barrier for reaction, and turnover frequency for these processes. Moreover, it could constitute a significant step in the technological advance towards using ultrathin carbon layers deposited on atomically clean Pt monocrystal at industrial scale, for applications involving CO depletion and/or conversion.

Stage 1 Results:

Understanding and modeling of the oxidation mechanisms of carbon monoxide by comparative analysis of time resolved photoelectron spectra and images obtained by tunneling electron microscopy images and electron diffraction.

Stage 2 Results:

Understanding and modeling of the mechanisms of hydrogen or alkane production through reactions of carbon monoxide with water, by comparative analysis of time resolved photoelectron spectra.

Status of objective achievement
All the objectives mentioned in the proposal for each stage of this research project were realized according to the work plan.
During the reported implementation period (11.01.2021 – 31.12.2022), the results were disseminated in 3 oral presentations, 2 papers that are under evaluation and 2 more articles acknowledging this grant that are expected to be submitted for publication.

Conferences:

„Adsorption, dissociation and desorption of carbon monoxide on Pt(001)- hex" R.M. Costescu, N.G. Apostol, A. Nicolaev, D. Lizzit, E. Tosi, C. Bucur, C.A. Tache,  G.A. Lungu, A. Pena, P. Lacovig, S. Lizzit, C.M. Teodorescu, RomCat Conference 2022, The 13th International Symposium of the Romanian Catalysis Society, June22-24, Baile Govora, Romania – oral presentation

„Intercalation of carbon monoxide in sub-monolayer graphene on Pt(001)-hex" A. Nicolaev, N.G. Apostol, R.M. Costescu, D. Lizzit, E. Tosi, C. Bucur, C.A. Tache,  G.A. Lungu, A. Pena, P. Lacovig, S. Lizzit, C.M. Teodorescu, RomCat Conference 2022, The 13th International Symposium of the Romanian Catalysis Society, June22-24, Baile Govora, Romania – oral presentation

„Surface reactions of CO and H2 on 0.5 ML Gr/Pt(001)-hex at room temperature " N.G. Apostol, A. Nicolaev, R.M. Costescu, D. Lizzit, E. Tosi, C. Bucur, P. Lacovig, S. Lizzit, C.M. Teodorescu, RomCat Conference 2022, The 13th International Symposium of the Romanian Catalysis Society, June22-24, Baile Govora, Romania – oral presentation

Manuscripts under evaluation

"Surface charge dynamics on air-exposed ferroelectric Pb(Zr,Ti)O₃(001) thin films" L.E. Abramiuc, L.C. Tănase, M.J. Prieto, Lucas de Souza Caldas, A. Tiwari, N.G. Apostol, M.A. Hușanu, C.F. Chirilă, T. Schmidt, L. Pintilie, C.M. Teodorescu, Nanoscale, RIS = 2.877, IF=8.307

"Adsorption geometry and electronic structure of carbon monoxide on Pt(001)" N. G. Apostol, R.M. Costescu, A. Nicolaev, D. Lizzit, M. Schied, E. Tosi, G.A. Lungu, L.E. Borcan, C.A. Tache, S. Lizzit, P. Lacovig, C.M. Teodorescu, Physical Review Letters, RIS= 6.224, IF=9.185

Manuscripts in preparation

„Surface reactions of CO-H₂ and water on sub-monolayer of graphene growth on Pt(001)-hex at room temperature", A. Nicolaev, N.G. Apostol, R.M. Costescu, D. Lizzit, E. Tosi, C. Bucur, C.A. Tache, A.G. Lungu, A. Pena, P. Lacovig, S. Lizzit, C.M. Teodorescu

„Spin polarization in graphene grown on Pt(001) and its quenching by hydrogenation" C.M. Teodorescu, N.G. Apostol, D. Lizzit, G.A. Lungu, A. Nicolaev, C.A. Tache, E. Tosi, A.C. Pena

The study of CO insertion, oxidation and desorption from Pt(001) covered with Gr and CO reactions of interest for hydrogen and alkanes’ production.