Interpreting the Operando XANES of Surface-Supported Subnanometer Clusters: When Fluxionality, Oxidation State, and Size Effect Fight.

Zandkarimi, Borna; Sun, Geng; Halder, Avik; Seifert, Soenke; Vajda, Stefan; Sautet, Philippe; Alexandrova, Anastassia N.

doi:10.1021/acs.jpcc.0c02823

Title: Interpreting the Operando XANES of Surface-Supported Subnanometer Clusters: When Fluxionality, Oxidation State, and Size Effect Fight.

Journal Article · Thu May 07 00:00:00 EDT 2020 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.0c02823· OSTI ID:1765980

Zandkarimi, Borna; Sun, Geng; Halder, Avik; Seifert, Soenke; Vajda, Stefan; Sautet, Philippe; Alexandrova, Anastassia N.

X-ray absorption near edge structure (XANES) spectroscopy is widely used for operando catalyst characterization. We show that, for highly fluxional supported nanoclusters, the customary extraction of the oxidation state of the metal from the XANES data by fitting to the bulk standards is highly questionable. The XANES signatures as well as the apparent oxidation state for such clusters arise from a complex combination of many factors, and not only from the chemical composition in reaction conditions (e.g., oxygen content in oxidizing atmosphere). The thermally accessible isomerization and population of several structurally distinct cluster forms, cluster-support interaction, and intrinsic size effects all impact the metal oxidation state and XANES signal. We demonstrate this on copper oxide clusters with different compositions, Cu4Ox(x = 2-5) and Cu5Oy (y = 3, 5), deposited on amorphous alumina and ultrananocrystalline diamond, for which we computed the XANES spectra and compare the results to the experiment. We show in addition that fitting the experimental spectrum to calculated spectra of supported clusters can, in contrast, provide good agreement and insight into the spectrum-composition-structure relation. Experimental XANES interpreted using the proposed fitting scheme shows the partial reduction of Cu oxide clusters at rising temperatures, and pinpoints the specific stoichiometries that dominate in the ensemble of cluster states as the temperature changes.

Cite

Export

Save

Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science - Office of Basic Energy Sciences - Materials Sciences and Engineering Division; European Union - Horizon 2020 Research and Innovation Programme; USDOE Office of Science - Office of Basic Energy Sciences - Scientific User Facilities Division; USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: AC02-06CH11357

OSTI ID:: 1765980

Journal Information:: Journal of Physical Chemistry. C, Vol. 124, Issue 18

Country of Publication:: United States

Language:: English

References (87)

X-ray absorption spectroscopy (EXAFS and XANES) at surfaces Norman, D. Journal of Physics C: Solid State Physics, Vol. 19, Issue 18 https://doi.org/10.1088/0022-3719/19/18/006	journal	June 1986
Progress in the theory and interpretation of XANES Rehr, J. J.; Ankudinov, A. L. Coordination Chemistry Reviews, Vol. 249, Issue 1-2 https://doi.org/10.1016/j.ccr.2004.02.014	journal	January 2005
X-ray Absorption Near-Edge Structure (XANES) Spectroscopy Henderson, G. S.; de Groot, F. M. F.; Moulton, B. J. A. Reviews in Mineralogy and Geochemistry, Vol. 78, Issue 1 https://doi.org/10.2138/rmg.2014.78.3	journal	January 2014
Cu K-edge XANES: polymer, organic, inorganic spectra, and experimental considerations Larsson, Mikael; Lindén, Johan B.; Kaur, Simarpreet Powder Diffraction, Vol. 32, Issue S2 https://doi.org/10.1017/s0885715617000756	journal	July 2017
Local Environment Sensitivity of the Cu K-Edge XANES Features in Cu-SSZ-13: Analysis from First-Principles Zhang, Renqin; McEwen, Jean-Sabin The Journal of Physical Chemistry Letters, Vol. 9, Issue 11 https://doi.org/10.1021/acs.jpclett.8b00675	journal	April 2018
Copper K-edge XANES of Cu(I) and Cu(II) oxide mixtures Gaur, A.; Shrivastava, B. D.; Joshi, S. K. Journal of Physics: Conference Series, Vol. 190 https://doi.org/10.1088/1742-6596/190/1/012084	journal	November 2009
Subnanometer Substructures in Nanoassemblies Formed from Clusters under a Reactive Atmosphere Revealed Using Machine Learning Timoshenko, Janis; Halder, Avik; Yang, Bing The Journal of Physical Chemistry C, Vol. 122, Issue 37 https://doi.org/10.1021/acs.jpcc.8b07952	journal	August 2018
Ligand K-edge X-ray absorption spectroscopy: covalency of ligand–metal bonds Solomon, Edward I.; Hedman, Britt; Hodgson, Keith O. Coordination Chemistry Reviews, Vol. 249, Issue 1-2 https://doi.org/10.1016/j.ccr.2004.03.020	journal	January 2005
Reversing Size-Dependent Trends in the Oxidation of Copper Clusters through Support Effects: Reversing Size-Dependent Trends in the Oxidation of Copper Clusters through Support Effects Mammen, Nisha; Spanu, Leonardo; Tyo, Eric C. European Journal of Inorganic Chemistry, Vol. 2018, Issue 1 https://doi.org/10.1002/ejic.201701355	journal	December 2017
Using first principles calculations to interpret XANES experiments: extracting the size-dependence of the ( p , T ) phase diagram of sub-nanometer Cu clusters in an O ₂ environment Mammen, Nisha; Spanu, Leonardo; Tyo, Eric C. Journal of Physics: Condensed Matter, Vol. 31, Issue 14 https://doi.org/10.1088/1361-648x/aafcf9	journal	February 2019
The oxidation state of iron determined by Fe K-edge XANES—application to iron gall ink in historical manuscripts Wilke, Max; Hahn, Oliver; Woodland, Alan B. Journal of Analytical Atomic Spectrometry, Vol. 24, Issue 10 https://doi.org/10.1039/b904438h	journal	January 2009
The 1s x-ray absorption pre-edge structures in transition metal oxides de Groot, Frank; Vankó, György; Glatzel, Pieter Journal of Physics: Condensed Matter, Vol. 21, Issue 10 https://doi.org/10.1088/0953-8984/21/10/104207	journal	February 2009
Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal–ligand interactions Tomson, Neil C.; Williams, Kamille D.; Dai, Xuliang Chemical Science, Vol. 6, Issue 4 https://doi.org/10.1039/c4sc03294b	journal	January 2015
Assignment of pre-edge peaks in K-edge x-ray absorption spectra of 3d transition metal compounds: electric dipole or quadrupole? Yamamoto, Takashi X-Ray Spectrometry, Vol. 37, Issue 6 https://doi.org/10.1002/xrs.1103	journal	November 2008
A Multiplet Analysis of Fe K-Edge 1s → 3d Pre-Edge Features of Iron Complexes Westre, Tami E.; Kennepohl, Pierre; DeWitt, Jane G. Journal of the American Chemical Society, Vol. 119, Issue 27 https://doi.org/10.1021/ja964352a	journal	July 1997
XANES Determination of the Platinum Oxidation State Distribution in Cancer Cells Treated with Platinum(IV) Anticancer Agents Hall, Matthew D.; Foran, Garry J.; Zhang, Mei Journal of the American Chemical Society, Vol. 125, Issue 25 https://doi.org/10.1021/ja0354770	journal	June 2003
Cerium oxidation state in ceria nanoparticles studied with X-ray photoelectron spectroscopy and absorption near edge spectroscopy Zhang, Feng; Wang, Peng; Koberstein, J. Surface Science, Vol. 563, Issue 1-3 https://doi.org/10.1016/j.susc.2004.05.138	journal	August 2004
Determination of Mn valence states in mixed-valent manganates by XANES spectroscopy Manceau, A.; Marcus, M. A.; Grangeon, S. American Mineralogist, Vol. 97, Issue 5-6 https://doi.org/10.2138/am.2012.3903	journal	May 2012
Oxidation state and coordination of Fe in minerals: An Fe K- XANES spectroscopic study Wilke, Max; Farges, François; Petit, Pierre-Emmanuel American Mineralogist, Vol. 86, Issue 5-6 https://doi.org/10.2138/am-2001-5-612	journal	May 2001
XPS and EXAFS study of supported PtSn catalysts obtained by surface organometallic chemistry on metals Siri, Guillermo J.; Ramallo-López, José M.; Casella, Mónica L. Applied Catalysis A: General, Vol. 278, Issue 2 https://doi.org/10.1016/j.apcata.2004.10.004	journal	January 2005
Ab Initio Study of Covalency in the Ground versus Core-Excited States and X-ray Absorption Spectra of Actinide Complexes Sergentu, Dumitru-Claudiu; Duignan, Thomas J.; Autschbach, Jochen The Journal of Physical Chemistry Letters, Vol. 9, Issue 18 https://doi.org/10.1021/acs.jpclett.8b02412	journal	September 2018
Quantitative structural determination of active sites from in situ and operando XANES spectra: From standard ab initio simulations to chemometric and machine learning approaches Guda, Alexander A.; Guda, Sergey A.; Lomachenko, Kirill A. Catalysis Today, Vol. 336 https://doi.org/10.1016/j.cattod.2018.10.071	journal	October 2019
Operando X-ray absorption spectroscopy study of the Fischer–Tropsch reaction with a Co catalyst Nayak, Chandrani; Jain, Preeti; Vinod, C. P. Journal of Synchrotron Radiation, Vol. 26, Issue 1 https://doi.org/10.1107/s1600577518015588	journal	January 2019
Determination of the oxidation and coordination state of copper on different Cu-based catalysts by XANES spectroscopy in situ or in operando conditions Lamberti, C.; Bordiga, S.; Bonino, F. Phys. Chem. Chem. Phys., Vol. 5, Issue 20 https://doi.org/10.1039/b305810g	journal	January 2003
Unraveling the Dynamic Nature of a CuO/CeO ₂ Catalyst for CO Oxidation in Operando : A Combined Study of XANES (Fluorescence) and DRIFTS Yao, Siyu; Mudiyanselage, Kumudu; Xu, Wenqian ACS Catalysis, Vol. 4, Issue 6 https://doi.org/10.1021/cs500148e	journal	April 2014
Operando Effects on the Structure and Dynamics of Pt _n Sn _m /γ-Al ₂ O ₃ from Ab Initio Molecular Dynamics and X-ray Absorption Spectra Vila, Fernando D.; Rehr, John J.; Kelly, Shelly D. The Journal of Physical Chemistry C, Vol. 117, Issue 24 https://doi.org/10.1021/jp403931z	journal	June 2013
Fluxionality of Catalytic Clusters: When It Matters and How to Address It Zhai, Huanchen; Alexandrova, Anastassia N. ACS Catalysis, Vol. 7, Issue 3 https://doi.org/10.1021/acscatal.6b03243	journal	February 2017
Surface‐supported cluster catalysis: Ensembles of metastable states run the show Zandkarimi, Borna; Alexandrova, Anastassia N. Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 9, Issue 6 https://doi.org/10.1002/wcms.1420	journal	May 2019
Metastable Structures in Cluster Catalysis from First-Principles: Structural Ensemble in Reaction Conditions and Metastability Triggered Reactivity Sun, Geng; Sautet, Philippe Journal of the American Chemical Society, Vol. 140, Issue 8 https://doi.org/10.1021/jacs.7b11239	journal	February 2018
Local Fluxionality of Surface-Deposited Cluster Catalysts: The Case of Pt ₇ on Al ₂ O ₃ Zhai, Huanchen; Alexandrova, Anastassia N. The Journal of Physical Chemistry Letters, Vol. 9, Issue 7 https://doi.org/10.1021/acs.jpclett.8b00379	journal	March 2018
Computational Design of Clusters for Catalysis Jimenez-Izal, Elisa; Alexandrova, Anastassia N. Annual Review of Physical Chemistry, Vol. 69, Issue 1 https://doi.org/10.1146/annurev-physchem-050317-014216	journal	April 2018
Dynamics of Subnanometer Pt Clusters Can Break the Scaling Relationships in Catalysis Zandkarimi, Borna; Alexandrova, Anastassia N. The Journal of Physical Chemistry Letters, Vol. 10, Issue 3 https://doi.org/10.1021/acs.jpclett.8b03680	journal	January 2019
Nanoalloying MgO-Deposited Pt Clusters with Si To Control the Selectivity of Alkane Dehydrogenation Jimenez-Izal, Elisa; Zhai, Huanchen; Liu, Ji-Yuan ACS Catalysis, Vol. 8, Issue 9 https://doi.org/10.1021/acscatal.8b02443	journal	July 2018
Boron Switch for Selectivity of Catalytic Dehydrogenation on Size-Selected Pt Clusters on Al ₂ O ₃ Ha, Mai-Anh; Baxter, Eric T.; Cass, Ashley C. Journal of the American Chemical Society, Vol. 139, Issue 33 https://doi.org/10.1021/jacs.7b05894	journal	August 2017
Ethylene Dehydrogenation on Pt _4,7,8 Clusters on Al ₂ O ₃ : Strong Cluster Size Dependence Linked to Preferred Catalyst Morphologies Baxter, Eric T.; Ha, Mai-Anh; Cass, Ashley C. ACS Catalysis, Vol. 7, Issue 5 https://doi.org/10.1021/acscatal.7b00409	journal	April 2017
Inherent Size Effects on XANES of Nanometer Metal Clusters: Size-Selected Platinum Clusters on Silica Dai, Yang; Gorey, Timothy J.; Anderson, Scott L. The Journal of Physical Chemistry C, Vol. 121, Issue 1 https://doi.org/10.1021/acs.jpcc.6b10167	journal	December 2016
XAFS Debye–Waller factors in aqueous Cr+3 from molecular dynamics Campbell, L.; Rehr, J. J.; Schenter, G. K. Journal of Synchrotron Radiation, Vol. 6, Issue 3 https://doi.org/10.1107/s0909049598018202	journal	May 1999
Many-Body Effects Determine the Local Hydration Structure of Cs + in Solution Zhuang, Debbie; Riera, Marc; Schenter, Gregory K. The Journal of Physical Chemistry Letters, Vol. 10, Issue 3 https://doi.org/10.1021/acs.jpclett.8b03829	journal	January 2019
Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder Duignan, Timothy T.; Schenter, Gregory K.; Fulton, John L. Physical Chemistry Chemical Physics https://doi.org/10.1039/c9cp06161d	journal	January 2020
Unraveling the spectral signatures of solvent ordering in K-edge XANES of aqueous Na + Galib, M.; Schenter, G. K.; Mundy, C. J. The Journal of Chemical Physics, Vol. 149, Issue 12 https://doi.org/10.1063/1.5024568	journal	September 2018
Is Iodate a Strongly Hydrated Cation? Baer, Marcel D.; Pham, Van-Thai; Fulton, John L. The Journal of Physical Chemistry Letters, Vol. 2, Issue 20 https://doi.org/10.1021/jz2011435	journal	October 2011
Probing the Hydration Structure of Polarizable Halides: A Multiedge XAFS and Molecular Dynamics Study of the Iodide Anion Fulton, John L.; Schenter, Gregory K.; Baer, Marcel D. The Journal of Physical Chemistry B, Vol. 114, Issue 40 https://doi.org/10.1021/jp106378p	journal	October 2010
Structure and dynamics of the hydration shells of the Zn2+ ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations Cauët, Emilie; Bogatko, Stuart; Weare, John H. The Journal of Chemical Physics, Vol. 132, Issue 19 https://doi.org/10.1063/1.3421542	journal	May 2010
Hydrated Structure of Ag(I) Ion from Symmetry-Dependent, K- and L-Edge XAFS Multiple Scattering and Molecular Dynamics Simulations Fulton, John L.; Kathmann, Shawn M.; Schenter, Gregory K. The Journal of Physical Chemistry A, Vol. 113, Issue 50 https://doi.org/10.1021/jp9064906	journal	December 2009
Molecular Simulation Analysis and X-ray Absorption Measurement of Ca ²⁺ , K ⁺ and Cl ^- Ions in Solution Dang, Liem X.; Schenter, Gregory K.; Glezakou, Vassiliki-Alexandra The Journal of Physical Chemistry B, Vol. 110, Issue 47 https://doi.org/10.1021/jp064661f	journal	November 2006
EXAFS Spectra of the Dilute Solutions of Ca ²⁺ and Sr ²⁺ in Water and Methanol Dang, Liem X.; Schenter, Gregory K.; Fulton, John L. The Journal of Physical Chemistry B, Vol. 107, Issue 50 https://doi.org/10.1021/jp030968s	journal	December 2003
Prediction of extended x-ray-absorption fine-structure spectra from molecular interaction models: ${Na}^{+} {(H}_{2} {O)}_{n} - MgO$ (100) interface McCarthy, Maureen I.; Schenter, Gregory K.; Chacon-Taylor, Monique R. Physical Review B, Vol. 56, Issue 15 https://doi.org/10.1103/physrevb.56.9925	journal	October 1997
In Situ XAFS and NMR Study of Rhodium-Catalyzed Dehydrogenation of Dimethylamine Borane Chen, Yongsheng; Fulton, John L.; Linehan, John C. Journal of the American Chemical Society, Vol. 127, Issue 10 https://doi.org/10.1021/ja0437050	journal	March 2005
XAS study on copper red in ancient glass beads from Thailand Klysubun, Wantana; Thongkam, Yatima; Pongkrapan, Sorapong Analytical and Bioanalytical Chemistry, Vol. 399, Issue 9 https://doi.org/10.1007/s00216-010-4219-1	journal	October 2010
Catalysis by clusters with precise numbers of atoms Tyo, Eric C.; Vajda, Stefan Nature Nanotechnology, Vol. 10, Issue 7 https://doi.org/10.1038/nnano.2015.140	journal	July 2015
Atomically precise (catalytic) particles synthesized by a novel cluster deposition instrument Yin, C.; Tyo, E.; Kuchta, K. The Journal of Chemical Physics, Vol. 140, Issue 17, Article No. 174201 https://doi.org/10.1063/1.4871799	journal	May 2014
Penetration of thin C60 films by metal nanoparticles Duffe, Stefanie; Grönhagen, Niklas; Patryarcha, Lukas Nature Nanotechnology, Vol. 5, Issue 5 https://doi.org/10.1038/nnano.2010.45	journal	April 2010
Simultaneous measurement of X-ray small angle scattering, absorption and reactivity: A continuous flow catalysis reactor Lee, Sungsik; Lee, Byeongdu; Seifert, Soenke Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 649, Issue 1 https://doi.org/10.1016/j.nima.2010.12.172	journal	September 2011
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/physrevb.47.558	journal	January 1993
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium Kresse, G.; Hafner, J. Physical Review B, Vol. 49, Issue 20, p. 14251-14269 https://doi.org/10.1103/physrevb.49.14251	journal	May 1994
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/physrevb.54.11169	journal	October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/physrevb.59.1758	journal	January 1999
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/physrevlett.77.3865	journal	October 1996
Crystal structures, 2 nd edition. Vol. 1 by R. W. G. Wyckoff Zemann, J. Acta Crystallographica, Vol. 18, Issue 1 https://doi.org/10.1107/S0365110X65000361	journal	January 1965
Ensemble-Average Representation of Pt Clusters in Conditions of Catalysis Accessed through GPU Accelerated Deep Neural Network Fitting Global Optimization Zhai, Huanchen; Alexandrova, Anastassia N. Journal of Chemical Theory and Computation, Vol. 12, Issue 12 https://doi.org/10.1021/acs.jctc.6b00994	journal	November 2016
Germanium as key dopant to boost the catalytic performance of small platinum clusters for alkane dehydrogenation Jimenez-Izal, Elisa; Liu, Ji-Yuan; Alexandrova, Anastassia N. Journal of Catalysis, Vol. 374 https://doi.org/10.1016/j.jcat.2019.04.034	journal	June 2019
Alloying Pt Sub-nano-clusters with Boron: Sintering Preventative and Coke Antagonist? Dadras, Jonny; Jimenez-Izal, Elisa; Alexandrova, Anastassia N. ACS Catalysis, Vol. 5, Issue 10 https://doi.org/10.1021/acscatal.5b01513	journal	August 2015
Preparation of Size- and Composition-Controlled Pt _n Sn _x /SiO ₂ ( n = 4, 7, 24) Bimetallic Model Catalysts with Atomic Layer Deposition Gorey, Timothy J.; Zandkarimi, Borna; Li, Guangjing The Journal of Physical Chemistry C, Vol. 123, Issue 26 https://doi.org/10.1021/acs.jpcc.9b02745	journal	May 2019
Sn-modification of Pt ₇ /alumina model catalysts: Suppression of carbon deposition and enhanced thermal stability Li, Guangjing; Zandkarimi, Borna; Cass, Ashley C. The Journal of Chemical Physics, Vol. 152, Issue 2 https://doi.org/10.1063/1.5129686	journal	January 2020
Coking-Resistant Sub-Nano Dehydrogenation Catalysts: Pt _n Sn _x /SiO ₂ ( n = 4, 7) Gorey, Timothy J.; Zandkarimi, Borna; Li, Guangjing ACS Catalysis, Vol. 10, Issue 8 https://doi.org/10.1021/acscatal.0c00668	journal	March 2020
Reaction Mechanism for Direct Propylene Epoxidation by Alumina-Supported Silver Aggregates: The Role of the Particle/Support Interface Cheng, Lei; Yin, Chunrong; Mehmood, Faisal ACS Catalysis, Vol. 4, Issue 1 https://doi.org/10.1021/cs4009368	journal	December 2013
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y. Physical Review B, Vol. 57, Issue 3, p. 1505-1509 https://doi.org/10.1103/physrevb.57.1505	journal	January 1998
Self-consistent aspects of x-ray absorption calculations Bunău, O.; Joly, Y. Journal of Physics: Condensed Matter, Vol. 21, Issue 34 https://doi.org/10.1088/0953-8984/21/34/345501	journal	August 2009
Self-consistency, spin-orbit and other advances in the FDMNES code to simulate XANES and RXD experiments Joly, Y.; Bunău, O.; Lorenzo, J. E. Journal of Physics: Conference Series, Vol. 190 https://doi.org/10.1088/1742-6596/190/1/012007	journal	November 2009
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT Ravel, B.; Newville, M. Journal of Synchrotron Radiation, Vol. 12, Issue 4 https://doi.org/10.1107/s0909049505012719	journal	June 2005
Oxidative Dehydrogenation of Cyclohexane by Cu vs Pd Clusters: Selectivity Control by Specific Cluster Dynamics Halder, Avik; Ha, Mai‐Anh; Zhai, Huanchen ChemCatChem, Vol. 12, Issue 5 https://doi.org/10.1002/cctc.201901795	journal	January 2020
The Oxidative Dehydrogenation of Cyclohexane and Cyclohexene over Unsupported and Supported Molybdena Catalysts Prepared by Metal Oxide Vapor Deposition Alyea, Elmer C.; Keane, Mark A. Journal of Catalysis, Vol. 164, Issue 1 https://doi.org/10.1006/jcat.1996.0359	journal	November 1996
Oxidative dehydrogenation of cyclohexane and cyclohexene over supported gold, palladium and gold–palladium catalysts Dummer, Nicholas F.; Bawaked, Salem; Hayward, James Catalysis Today, Vol. 154, Issue 1-2 https://doi.org/10.1016/j.cattod.2010.03.031	journal	September 2010
Subnanometer cobalt oxide clusters as selective low temperature oxidative dehydrogenation catalysts Lee, Sungsik; Halder, Avik; Ferguson, Glen A. Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-08819-5	journal	February 2019
Thermionic emission energy distribution from nanocrystalline diamond films for direct thermal-electrical energy conversion applications Uppireddi, Kishore; Westover, Tyler L.; Fisher, Timothy S. Journal of Applied Physics, Vol. 106, Issue 4 https://doi.org/10.1063/1.3204667	journal	August 2009
Ultrananocrystalline diamond films as a high QE photocathode Baryshev, S. V.; Antipov, S.; Jing, C. ADVANCED ACCELERATOR CONCEPTS 2016: 16th Advanced Accelerator Concepts Workshop, AIP Conference Proceedings https://doi.org/10.1063/1.4965658	conference	January 2016
Cyclohexane oxidative dehydrogenation over copper oxide catalysts Nauert, Scott L.; Schax, Fabian; Limberg, Christian Journal of Catalysis, Vol. 341 https://doi.org/10.1016/j.jcat.2016.07.002	journal	September 2016
Formation of copper aluminate spinel and cuprous aluminate delafossite to thermally stabilize simulated copper-laden sludge Hu, Ching-Yao; Shih, Kaimin; Leckie, James O. Journal of Hazardous Materials, Vol. 181, Issue 1-3 https://doi.org/10.1016/j.jhazmat.2010.05.024	journal	September 2010
Nanostructured copper aluminate spinels: Synthesis, structural, optical, magnetic, and catalytic properties Ragupathi, C.; Vijaya, J. Judith; Kennedy, L. John Materials Science in Semiconductor Processing, Vol. 24 https://doi.org/10.1016/j.mssp.2014.03.026	journal	August 2014
Production of Copper and Cobalt Aluminate Spinels and Their Application As Supports for Inulinase Immobilization Abaide, Ederson Rossi; Anchieta, Chayene Gonçalves; Foletto, Vitória Segabinazzi Materials Research, Vol. 18, Issue 5 https://doi.org/10.1590/1516-1439.031415	journal	October 2015
Experimental Study of Multiple Scattering in X-Ray-Absorption Near-Edge Structure Bunker, Grant; Stern, Edward A. Physical Review Letters, Vol. 52, Issue 22 https://doi.org/10.1103/physrevlett.52.1990	journal	May 1984
The X‐Ray K Absorption Edges of Covalently Bonded Cr, Mn, Fe, and Ni Mitchell, G.; Beeman, W. W. The Journal of Chemical Physics, Vol. 20, Issue 8 https://doi.org/10.1063/1.1700724	journal	August 1952
�ber die Absorptionsspektren im R�ntgengebiet Coster, D. Zeitschrift f�r Physik, Vol. 25, Issue 1 https://doi.org/10.1007/bf01327511	journal	December 1924
Coordination chemistry of Ti(IV) in silicate glasses and melts: II. Glasses at ambient temperature and pressure Farges, Franois; Brown, Gordon E.; Navrotsky, Alexandra Geochimica et Cosmochimica Acta, Vol. 60, Issue 16 https://doi.org/10.1016/0016-7037(96)00145-7	journal	August 1996
Ti $K$ -edge XANES studies of Ti coordination and disorder in oxide compounds: Comparison between theory and experiment Farges, François; Brown, Gordon E.; Rehr, J. J. Physical Review B, Vol. 56, Issue 4 https://doi.org/10.1103/physrevb.56.1809	journal	July 1997
Polarization dependence of XANES of square-planar Ni(CN)2−4 ion. A comparison with octahedral Fe(CN)4−6 and Fe(CN)3−6 ions Kosugi, Nobuhiro; Yokoyama, Toshihiko; Kuroda, Haruo Chemical Physics, Vol. 104, Issue 3 https://doi.org/10.1016/0301-0104(86)85034-0	journal	May 1986

Similar Records

Interpreting the Operando XANES of Surface-Supported Subnanometer Clusters: When Fluxionality, Oxidation State, and Size Effect Fight

Journal Article · Tue Apr 14 00:00:00 EDT 2020 · Journal of Physical Chemistry. C · OSTI ID:1765980

Zandkarimi, Borna; Sun, Geng; Halder, Avik; +4 more

Interpreting the Operando X-ray Absorption Near-Edge Structure of Supported Cu and CuPd Clusters in Conditions of Oxidative Dehydrogenation of Propane: Dynamic Changes in Composition and Size

Journal Article · Thu Jan 20 00:00:00 EST 2022 · Journal of Physical Chemistry. C · OSTI ID:1765980

Poths, Patricia; Sun, Geng; Sautet, Philippe; +1 more

Theoretical Perspective on Operando Spectroscopy of Fluxional Nanocatalysts

Journal Article · Tue May 10 00:00:00 EDT 2022 · Journal of Physical Chemistry Letters · OSTI ID:1765980

Poths, Patricia; Alexandrova, Anastassia N.

Title: Interpreting the Operando XANES of Surface-Supported Subnanometer Clusters: When Fluxionality, Oxidation State, and Size Effect Fight.

Citation Formats

References (87)

Similar Records

Related Subjects