Atomic-Scale Structure of Chemically Distinct Surface Oxygens in Redox Reactions

Das, Anusheela; Park, Haesun; Chen, Yanna; Choudhury, Devika; Lee, Tien-Lin; Elam, Jeffrey W.; Zapol, Peter; Bedzyk, Michael J.

doi:10.1021/jacs.1c07926

Atomic-Scale Structure of Chemically Distinct Surface Oxygens in Redox Reactions

Journal Article · Thu Oct 21 00:00:00 EDT 2021 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.1c07926· OSTI ID:1870872

Das, Anusheela ^[1]; Park, Haesun ^[2]; ^[3]; Choudhury, Devika ^[4]; Lee, Tien-Lin ^[5]; ^[4]; ^[4]; ^[3]

Northwestern Univ., Evanston, IL (United States); Northwestern University
Argonne National Lab. (ANL), Lemont, IL (United States); Chung-Ang Univ., Seoul (Korea, Republic of)
Northwestern Univ., Evanston, IL (United States)
Argonne National Lab. (ANL), Lemont, IL (United States)
Diamond Light Source, Didcot (United Kingdom)

During redox reactions, oxide-supported catalytic systems undergo structural and chemical changes. Improving subsequent catalytic properties requires an understanding of the atomic-scale structure with chemical state specificity under reaction conditions. For the case of 1/2 monolayer vanadia on α-TiO₂(110), we use X-ray standing wave (XSW) excited X-ray photoelectron spectroscopy to follow the redox induced atomic positional and chemical state changes of this interface. Furthermore, while the resulting XSW 3D composite atomic maps include the Ti and O substrate atoms and V surface atoms, our focus in this report is on the previously unseen surface oxygen species with comparison to density functional theory predictions.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States); Northwestern Univ., Evanston, IL (United States)

Sponsoring Organization:: IIN; NSF; Northwestern’s MRSEC program; SHyNE Resource; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357; FG02-03ER15457

OSTI ID:: 1870872

Alternate ID(s):: OSTI ID: 1991299

Journal Information:: Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 43 Vol. 143; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

References (22)

The interaction of H2O with a TiO2(110) surface Hugenschmidt, Markus B.; Gamble, Lara; Campbell, Charles T. Surface Science, Vol. 302, Issue 3 https://doi.org/10.1016/0039-6028(94)90837-0	journal	February 1994
Surface structure determination with X-ray standing waves Zegenhagen, J. Surface Science Reports, Vol. 18, Issue 7-8 https://doi.org/10.1016/0167-5729(93)90025-K	journal	October 1993
CH3OH oxidation over well-defined supported V2O5/Al2O3 catalysts: Influence of vanadium oxide loading and surface vanadium–oxygen functionalities Kim, T.; Wachs, I. Journal of Catalysis, Vol. 255, Issue 2 https://doi.org/10.1016/j.jcat.2008.02.007	journal	April 2008
Structural characterisation of ultra-thin VOx films on TiO2(110) Kröger, E. A.; Allegretti, F.; Knight, M. J. Surface Science, Vol. 600, Issue 21 https://doi.org/10.1016/j.susc.2006.07.049	journal	November 2006
Identification of the vanadyl terminated V2O3(0001) surface by NEXAFS spectroscopy: A combined theoretical and experimental study Kolczewski, C.; Hermann, K.; Guimond, S. Surface Science, Vol. 601, Issue 23 https://doi.org/10.1016/j.susc.2007.09.033	journal	December 2007
Water Splitting on Ti-Oxide-Terminated SrTiO ₃ (001) Solokha, Vladyslav; Garai, Debi; Wilson, Axel The Journal of Physical Chemistry C, Vol. 123, Issue 28 https://doi.org/10.1021/acs.jpcc.9b01730	journal	June 2019
Resolving the Chemically Discrete Structure of Synthetic Borophene Polymorphs Campbell, Gavin P.; Mannix, Andrew J.; Emery, Jonathan D. Nano Letters, Vol. 18, Issue 5 https://doi.org/10.1021/acs.nanolett.7b05178	journal	April 2018
Imaging of Atomic Layer Deposited (ALD) Tungsten Monolayers on α-TiO ₂ (110) by X-ray Standing Wave Fourier Inversion Kim, Chang-Yong; Elam, Jeffrey W.; Pellin, Michael J. The Journal of Physical Chemistry B, Vol. 110, Issue 25 https://doi.org/10.1021/jp061391s	journal	June 2006
Redox Driven Crystalline Coherent-Incoherent Transformation for a 2 ML VO _x Film Grown on α-TiO ₂ (110) Kim, Chang-Yong; Elam, Jeffrey W.; Stair, Peter C. The Journal of Physical Chemistry C, Vol. 114, Issue 46 https://doi.org/10.1021/jp104978a	journal	October 2010
Atomic-Scale Study of Ambient-Pressure Redox-Induced Changes for an Oxide-Supported Submonolayer Catalyst: VO _x /α-TiO ₂ (110) Feng, Zhenxing; Cheng, Lei; Kim, Chang-Yong The Journal of Physical Chemistry Letters, Vol. 3, Issue 19 https://doi.org/10.1021/jz3011546	journal	September 2012
Catalysts Transform While Molecules React: An Atomic-Scale View Feng, Zhenxing; Lu, Junling; Feng, Hao The Journal of Physical Chemistry Letters, Vol. 4, Issue 2 https://doi.org/10.1021/jz301859k	journal	January 2013
Water adsorption on TiO2 surfaces probed by soft X-ray spectroscopies: bulk materials vs. isolated nanoparticles Benkoula, Safia; Sublemontier, Olivier; Patanen, Minna Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep15088	journal	October 2015
Probing the geometry of copper and silver adatoms on magnetite: quantitative experiment versus theory Meier, Matthias; Jakub, Zdeněk; Balajka, Jan Nanoscale, Vol. 10, Issue 5 https://doi.org/10.1039/C7NR07319D	journal	January 2018
Surface core level BE shifts for CaO(100): insights into physical origins Bagus, Paul S.; Nelin, Connie J.; Levchenko, Sergey V. Physical Chemistry Chemical Physics, Vol. 21, Issue 45 https://doi.org/10.1039/C9CP04847B	journal	January 2019
Catalysis science of supported vanadium oxide catalysts Wachs, Israel E. Dalton Transactions, Vol. 42, Issue 33 https://doi.org/10.1039/c3dt50692d	journal	January 2013
X‐ray Standing Wave Imaging Bedzyk, M. J.; Fenter, P.; Zhang, Z. Synchrotron Radiation News, Vol. 17, Issue 3 https://doi.org/10.1080/08940880408603088	journal	May 2004
Surface structure determination using x-ray standing waves Woodruff, D. P. Reports on Progress in Physics, Vol. 68, Issue 4 https://doi.org/10.1088/0034-4885/68/4/R01	journal	March 2005
Revisiting surface core-level shifts for ionic compounds Bagus, Paul S.; Nelin, Connie J.; Zhao, Xunhua Physical Review B, Vol. 100, Issue 11 https://doi.org/10.1103/PhysRevB.100.115419	journal	September 2019
Density functional study of CO on Rh(111) Köhler, Lukas; Kresse, Georg Physical Review B, Vol. 70, Issue 16 https://doi.org/10.1103/PhysRevB.70.165405	journal	October 2004
Fourier transform imaging of impurities in the unit cells of crystals: Mn in GaAs Lee, T. -L.; Bihler, C.; Schoch, W. Physical Review B, Vol. 81, Issue 23 https://doi.org/10.1103/PhysRevB.81.235207	journal	June 2010
Fourier-Expansion Solution of Atom Distributions in a Crystal Using X-Ray Standing Waves Cheng, L.; Fenter, P.; Bedzyk, M. J. Physical Review Letters, Vol. 90, Issue 25 https://doi.org/10.1103/PhysRevLett.90.255503	journal	June 2003
XSW Imaging Bedzyk, Michael J.; Fenter, Paul Series on Synchrotron Radiation Techniques and Applications https://doi.org/10.1142/9789812779014_0014	book	March 2013

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Composites
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Atomic-Scale Structure of Chemically Distinct Surface Oxygens in Redox Reactions

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