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@ARTICLE{Degerman:605387,
      author       = {Degerman, David and Shipilin, Mikhail and Lömker, Patrick
                      and Soldemo, Markus and Goodwin, Christopher and Wagstaffe,
                      Michael and Börner, Mia and Schlueter, Christoph and Amann,
                      Peter and Nilsson, Anders},
      title        = {{E}ffect of ${CO}_2$-{R}ich {S}yngas on the {C}hemical
                      {S}tate of {F}e(110) during {F}ischer–{T}ropsch
                      {S}ynthesis},
      journal      = {The journal of physical chemistry / C},
      volume       = {128},
      number       = {13},
      issn         = {1932-7447},
      address      = {Washington, DC},
      publisher    = {Soc.},
      reportid     = {PUBDB-2024-01454},
      pages        = {5542-5552},
      year         = {2024},
      abstract     = {We have used in situ X-ray photoelectron spectroscopy to
                      obtain information about the chemical state of a Fe single
                      crystal catalyst upon addition of CO$_2$ in the syngas feed
                      duringFischer−Tropsch synthesis (FTS) between 85 and 550
                      mbar. We found that at certain temperatures, the ternary
                      mixture of CO, CO$_2$, and H$_2$ yields a chemical state
                      which is resemblant of neither the CO hydrogenation nor the
                      CO$_2$ hydrogenation reaction mixtures in isolation. The
                      addition of CO$_2$ to a CO + H$_2$ reaction mixture mostly
                      affects the chemical state at low-temperature FTS conditions
                      (i.e., below 254 °C). In this temperature span, the ternary
                      reaction mixture resulted in a carburized surface, whereas
                      the CO + H$_2$ reaction led to surface oxidation. We propose
                      a hypothesis, where a carbonate intermediate produced by
                      CO$_2$ interaction with Fe oxide aids the reduction of the
                      Fe oxide, paving the way for the carburization of the Fe by
                      dissociated CO. Very small differences in the spectra of the
                      CO + H$_2$ and the CO + CO$_2$ + H$_2$ reaction mixtures
                      were observed above 254 °C, suggesting that the CO$_2$ is a
                      spectator in these conditions. Changing the total pressure
                      of both the CO hydrogenation and ternary reaction mixture
                      causes quantitative changes in the spectra at both low- and
                      high-temperature FTS conditions, the degree of oxidation/
                      carburization was affected in the low-temperature-FTS
                      regime, and the degree of hydrocarbon build-up was affected
                      in the high-temperature-FTS.},
      cin          = {DOOR ; HAS-User / FS-PETRA-S},
      ddc          = {530},
      cid          = {I:(DE-H253)HAS-User-20120731 /
                      I:(DE-H253)FS-PETRA-S-20210408},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631) / 6G3 - PETRA III (DESY) (POF4-6G3) /
                      FS-Proposal: I-20181131 EC (I-20181131-EC) / FS-Proposal:
                      I-20200292 EC (I-20200292-EC) / CALIPSOplus - Convenient
                      Access to Light Sources Open to Innovation, Science and to
                      the World (730872) / SWEDEN-DESY - SWEDEN-DESY Collaboration
                      $(2020_Join2-SWEDEN-DESY)$},
      pid          = {G:(DE-HGF)POF4-631 / G:(DE-HGF)POF4-6G3 /
                      G:(DE-H253)I-20181131-EC / G:(DE-H253)I-20200292-EC /
                      G:(EU-Grant)730872 / $G:(DE-HGF)2020_Join2-SWEDEN-DESY$},
      experiment   = {EXP:(DE-H253)P-P22-20150101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001189795000001},
      doi          = {10.1021/acs.jpcc.3c08180},
      url          = {https://bib-pubdb1.desy.de/record/605387},
}