Molecular adsorption and reactions under two-dimensional shells


Project Director: Dr. Apostol Nicoleta
Project title: Molecular adsorption and reactions under two-dimensional shells
Project code: PN-III-P1-1.1-TE-2019-0916
Contract no: TE 187
Duration: 11.01.2021 - 31.12.2022
Acronym: CHEM2DSHELL
AbstractThis project intends to study 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, using high resolution XPS, NEXAFS, LEED, STM and TPD. The main reasons to investigate this surface are the fact that it was shown that Gr on Pt(111) is one of the weakest Gr-metal bonds – and due to the incommensurate character of the Pt(001) with respect to the Gr structure, one expects that Gr on Pt(001) will be even weaker – and the rich hex reconstruction of Pt(001), which could provide enhanced affinity for CO to adsorb with respect to the more compact no-superstructure Pt(111) surface.

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 will constitute a significant step in the technological advance towards using ultrathin carbon layers deposited on Pt films industrially, for applications involving CO depletion and/or conversion.

Nicoleta G. Apostol - project director
Dr. Ruxandra M. Costescu
Dr. George A. Lungu
Dr. Cristian A. Tache
PhD student Ioana A. Hristea

All the objectives specified in the project, related to stage 1 of this research project were carried out in accordance with the theme of the work program.

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

Nicoleta G. Apostol

Scientific Researcher II
National Institute of Materials Physics
Atomistilor Str. 405A
077125 Magurele-Ilfov
Romania


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