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Crystallographic visualization of a double water molecule addition on a Pt1‐MOF during the low‐temperature water‐gas shift reaction

DOI: 10.1002/cctc.202001492 DOI Help

Authors: Cristina Bilanin (Universitat Politecnica de Valencia) , Estefanía Tiburcio (Universidad de Valencia) , Jesús Ferrando–soria (Universidad de Valencia) , Donatella Armentano (Università della Calabria) , Antonio Leyva–pérez (Universitat Politècnica de València) , Emilio Pardo (Universidad de Valencia)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Chemcatchem

State: Published (Approved)
Published: November 2020
Diamond Proposal Number(s): 18768

Abstract: The low‐temperature water‐gas shift reaction (WGSR, CO + H 2 O ⇔ H 2 + CO 2 ) is considered a very promising reaction –candidate for fuel cells– despite an efficient and robust catalyst is still desirable. One of the more prominent catalysts for this reaction is based on single Pt atoms (Pt 1 ) on different supports, which are supposed to manifold the reaction by the accepted mechanism for the general WGSR, i.e. by addition of one H 2 O molecule to CO, with generation of CO 2 and H 2 . Here we show, experimentally, that not one but two H 2 O molecules are added to CO on the Pt 1 catalyst, as assessed by a combination of reactivity experiments with soluble Pt catalysts, kinetic and spectroscopic measurements, and finally by in‐operando single crystal X‐ray diffraction on a Pt 1 ‐MOF, to visualize the formation of the hemiacetal intermediate on the solid catalytic site. These results confirm our previous DFT predictions and provide a paradigmatic shift in the assumed mechanism of the WGSR, which may open the debate if two H 2 O molecules are recurrently added during the WGSR, not only for Pt 1 catalysts but also for other metal catalysts.

Journal Keywords: water gas shift; single atom catalyst; metal-organic framework; platinum; crystallography

Subject Areas: Chemistry, Materials, Energy

Instruments: I19-Small Molecule Single Crystal Diffraction

Added On: 27/11/2020 14:45

Discipline Tags:

Physical Chemistry Catalysis Chemistry Materials Science Metal-Organic Frameworks Metallurgy Organometallic Chemistry

Technical Tags:

Diffraction Single Crystal X-ray Diffraction (SXRD)