Atom Pair Frequencies as a Quantitative Structure?Activity Relationship for Catalytic 2-Propanol Oxi

Geiss, Jeremias; Falk, Tobias; Ognjanovic, Stevan; Anke, Sven; Peng, Baoxiang; Muhler, Martin; Winterer, Markus

doi:10.1021/acs.jpcc.2c00788

Title: Atom Pair Frequencies as a Quantitative Structure?Activity Relationship for Catalytic 2-Propanol Oxi

Journal Article · 01 June 2022 · J. Phys. Chem. C

DOI:https://doi.org/10.1021/acs.jpcc.2c00788· OSTI ID:1875173

Geiss, Jeremias; Falk, Tobias; Ognjanovic, Stevan; Anke, Sven; Peng, Baoxiang; Muhler, Martin; Winterer, Markus

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: DOE - Office Of Science; FOREIGN

OSTI ID:: 1875173

Journal Information:: J. Phys. Chem. C, Vol. 126, Issue (25)

Country of Publication:: United States

Language:: ENGLISH

References (39)

Chemical Vapor Synthesis and Structural Characterization of Nanocrystalline Zn _{1− x} Co _x O ( x = 0−0.50) Particles by X-ray Diffraction and X-ray Absorption Spectroscopy Djenadic, Ruzica; Akgül, Güvenç; Attenkofer, Klaus The Journal of Physical Chemistry C, Vol. 114, Issue 20 https://doi.org/10.1021/jp908148y	journal	May 2010
The structure of cobalt oxide, Co ₃ O ₄ Smith, W. L.; Hobson, A. D. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 29, Issue 2 https://doi.org/10.1107/S0567740873002505	journal	February 1973
Structure of Spinel Sickafus, Kurt E.; Wills, John M.; Grimes, Norman W. Journal of the American Ceramic Society, Vol. 82, Issue 12 https://doi.org/10.1111/j.1151-2916.1999.tb02241.x	journal	December 1999
Defect Chemistry and Catalytic Activity of Nanosized Co ₃ O ₄ Casas-Cabanas, M.; Binotto, G.; Larcher, D. Chemistry of Materials, Vol. 21, Issue 9 https://doi.org/10.1021/cm900328g	journal	May 2009
The structure of magnetite Fleet, M. E. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 37, Issue 4 https://doi.org/10.1107/S0567740881004597	journal	April 1981
Structural and Mössbauer study of nanoparticles CoFe2O4 prepared by sol-gel auto-combustion and subsequent sintering Al-Maashani, M.; Gismelseed, A. M.; Khalaf, K. A. M. Hyperfine Interactions, Vol. 239, Issue 1 https://doi.org/10.1007/s10751-018-1491-5	journal	February 2018
Neutron diffraction and Mössbauer spectroscopy studies for Ce doped CoFe2O4 nanoparticles Hashhash, A.; Bobrikov, I.; Yehia, M. Journal of Magnetism and Magnetic Materials, Vol. 503 https://doi.org/10.1016/j.jmmm.2020.166624	journal	June 2020
Structural and magnetic characterization and cation distribution of nanocrystalline Co x Fe 3−x O 4 ferrites Wahba, Adel Maher; Bakr Mohamed, Mohamed Journal of Magnetism and Magnetic Materials, Vol. 378 https://doi.org/10.1016/j.jmmm.2014.10.164	journal	March 2015
Structural and morphological characterization of FeCo2O4 and CoFe2O4 spinels prepared by a coprecipitation method Ferreira, T. A. S.; Waerenborgh, J. C.; Mendonça, M. H. R. M. Solid State Sciences, Vol. 5, Issue 2 https://doi.org/10.1016/S1293-2558(03)00011-6	journal	February 2003
On the reversible deactivation of cobalt ferrite spinel nanoparticles applied in selective 2-propanol oxidation Anke, Sven; Falk, Tobias; Bendt, Georg Journal of Catalysis, Vol. 382 https://doi.org/10.1016/j.jcat.2019.12.007	journal	February 2020
Tailoring Morphology and Electronic Structure of Cobalt Iron Oxide Nanowires for Electrochemical Oxygen Evolution Reaction Budiyanto, Eko; Yu, Mingquan; Chen, Minmin ACS Applied Energy Materials, Vol. 3, Issue 9 https://doi.org/10.1021/acsaem.0c01201	journal	August 2020
In operando XAS investigation of reduction and oxidation processes in cobalt and iron mixed spinels during the chemical loop reforming of ethanol Carraro, F.; Vozniuk, O.; Calvillo, L. J. Mater. Chem. A, Vol. 5, Issue 39 https://doi.org/10.1039/C7TA06785B	journal	January 2017
Influence of the cobalt content in cobalt iron oxides on the electrocatalytic OER activity Saddeler, Sascha; Bendt, Georg; Salamon, Soma Journal of Materials Chemistry A, Vol. 9, Issue 45 https://doi.org/10.1039/D1TA06568H	journal	January 2021
Reverse Monte Carlo Simulation: A New Technique for the Determination of Disordered Structures McGreevy, R. L.; Pusztai, L. Molecular Simulation, Vol. 1, Issue 6 https://doi.org/10.1080/08927028808080958	journal	December 1988
Reverse Monte Carlo analysis of extended x-ray absorption fine structure spectra of monoclinic and amorphous zirconia Winterer, Markus Journal of Applied Physics, Vol. 88, Issue 10 https://doi.org/10.1063/1.1319167	journal	November 2000
Localization of Ag Dopant Atoms in CdSe Nanocrystals by Reverse Monte Carlo Analysis of EXAFS Spectra Kompch, Alexander; Sahu, Ayaskanta; Notthoff, Christian The Journal of Physical Chemistry C, Vol. 119, Issue 32 https://doi.org/10.1021/acs.jpcc.5b04399	journal	August 2015
Low-temperature oxidation of CO catalysed by Co₃O₄ nanorods Xie, Xiaowei; Li, Yong; Liu, Zhi-Quan Nature, Vol. 458, Issue 7239, p. 746-749 https://doi.org/10.1038/nature07877	journal	April 2009
Highly Ordered Mesoporous Cobalt-Containing Oxides: Structure, Catalytic Properties, and Active Sites in Oxidation of Carbon Monoxide Gu, Dong; Jia, Chun-Jiang; Weidenthaler, Claudia Journal of the American Chemical Society, Vol. 137, Issue 35 https://doi.org/10.1021/jacs.5b06336	journal	August 2015
Catalytic properties in N2O decomposition of mixed cobalt–iron spinels Maniak, Gabriela; Stelmachowski, Paweł; Stanek, Jan J. Catalysis Communications, Vol. 15, Issue 1 https://doi.org/10.1016/j.catcom.2011.08.027	journal	November 2011
Mg and Al substituted cobalt spinels as catalysts for low temperature deN2O—Evidence for octahedral cobalt active sites Stelmachowski, P.; Maniak, G.; Kaczmarczyk, J. Applied Catalysis B: Environmental, Vol. 146 https://doi.org/10.1016/j.apcatb.2013.05.027	journal	March 2014
Thermodynamic Stability, Redox Properties, and Reactivity of Mn ₃ O ₄ , Fe ₃ O ₄ , and Co ₃ O ₄ Model Catalysts for N ₂ O Decomposition: Resolving the Origins of Steady Turnover Kaczmarczyk, Jan; Zasada, Filip; Janas, Janusz ACS Catalysis, Vol. 6, Issue 2 https://doi.org/10.1021/acscatal.5b02642	journal	January 2016
Ultrathin, Polycrystalline, Two-Dimensional Co ₃ O ₄ for Low-Temperature CO Oxidation Cai, Yafeng; Xu, Jia; Guo, Yun ACS Catalysis, Vol. 9, Issue 3 https://doi.org/10.1021/acscatal.8b04064	journal	February 2019
In Operando Identification of Geometrical-Site-Dependent Water Oxidation Activity of Spinel Co ₃ O ₄ Wang, Hsin-Yi; Hung, Sung-Fu; Chen, Han-Yi Journal of the American Chemical Society, Vol. 138, Issue 1 https://doi.org/10.1021/jacs.5b10525	journal	December 2015
Selective 2-Propanol Oxidation over Unsupported Co ₃ O ₄ Spinel Nanoparticles: Mechanistic Insights into Aerobic Oxidation of Alcohols Anke, Sven; Bendt, Georg; Sinev, Ilya ACS Catalysis, Vol. 9, Issue 7 https://doi.org/10.1021/acscatal.9b01048	journal	May 2019
Low-temperature deep oxidation of olefins and DME over cobalt ferrite Tian, Zhen-Yu; Mountapmbeme Kouotou, Patrick; El Kasmi, Achraf Proceedings of the Combustion Institute, Vol. 35, Issue 2 https://doi.org/10.1016/j.proci.2014.06.111	journal	January 2015
Low-Temperature CO Oxidation over Combustion Made Fe- and Cr-Doped Co ₃ O ₄ Catalysts: Role of Dopant’s Nature toward Achieving Superior Catalytic Activity and Stability Baidya, Tinku; Murayama, Toru; Bera, Parthasarathi The Journal of Physical Chemistry C, Vol. 121, Issue 28 https://doi.org/10.1021/acs.jpcc.7b04348	journal	July 2017
Perovskites as Substitutes of Noble Metals for Heterogeneous Catalysis: Dream or Reality Royer, Sébastien; Duprez, Daniel; Can, Fabien Chemical Reviews, Vol. 114, Issue 20 https://doi.org/10.1021/cr500032a	journal	September 2014
Preparation and catalytic activity in ethanol combustion reaction of cobalt–iron spinel catalysts Hammiche-Bellal, Yasmina; Benadda, Amel; Meddour-Boukhobza, Laaldja Catalysis Communications, Vol. 42 https://doi.org/10.1016/j.catcom.2013.07.042	journal	December 2013
Topotactic Synthesis of Porous Cobalt Ferrite Platelets from a Layered Double Hydroxide Precursor and Their Application in Oxidation Catalysis Ortega, Klaus Friedel; Anke, Sven; Salamon, Soma Chemistry - A European Journal, Vol. 23, Issue 51 https://doi.org/10.1002/chem.201702248	journal	August 2017
Identification of Active Sites in the Catalytic Oxidation of 2‐Propanol over Co _1+x Fe _2–x O ₄ Spinel Oxides at Solid/Liquid and Solid/Gas Interfaces Falk, Tobias; Budiyanto, Eko; Dreyer, Maik ChemCatChem, Vol. 13, Issue 12 https://doi.org/10.1002/cctc.202100352	journal	May 2021
Influence of the particle size on selective 2-propanol gas-phase oxidation over Co ₃ O ₄ nanospheres Falk, Tobias; Anke, Sven; Hajiyani, Hamidreza Catalysis Science & Technology, Vol. 11, Issue 23 https://doi.org/10.1039/D1CY00944C	journal	January 2021
Total pattern fitting for the combined size–strain–stress–texture determination in thin film diffraction Lutterotti, Luca Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 268, Issue 3-4 https://doi.org/10.1016/j.nimb.2009.09.053	journal	February 2010
Spinel cobalt ferrite by complexometric synthesis Thang, Pham D.; Rijnders, Guus; Blank, Dave H. A. Journal of Magnetism and Magnetic Materials, Vol. 295, Issue 3 https://doi.org/10.1016/j.jmmm.2005.01.011	journal	September 2005
A new atomic database for X-ray spectroscopic calculations Elam, W. T.; Ravel, B. D.; Sieber, J. R. Radiation Physics and Chemistry, Vol. 63, Issue 2 https://doi.org/10.1016/S0969-806X(01)00227-4	journal	February 2002
Real-space multiple-scattering calculation and interpretation of x-ray-absorption near-edge structure Ankudinov, A. L.; Ravel, B.; Rehr, J. J. Physical Review B, Vol. 58, Issue 12 https://doi.org/10.1103/PhysRevB.58.7565	journal	September 1998
Thermal stability, sublimation pressures and diffusion coefficients of some metal acetylacetonates Siddiqi, M. Aslam; Siddiqui, Rehan A.; Atakan, Burak Surface and Coatings Technology, Vol. 201, Issue 22-23 https://doi.org/10.1016/j.surfcoat.2007.04.036	journal	September 2007
The chemical vapor deposition of cobalt metal from cobalt (II) acetylacetonate Charles, R. G.; Haverlack, P. G. Journal of Inorganic and Nuclear Chemistry, Vol. 31, Issue 4 https://doi.org/10.1016/0022-1902(69)80148-X	journal	April 1969
Feasible transformation of MgCo2O4 from spinel to defect rocksalt structure under electron irradiation Okamoto, Norihiko L.; Shimokawa, Kohei; Tanimura, Hiroshi Scripta Materialia, Vol. 167 https://doi.org/10.1016/j.scriptamat.2019.03.034	journal	July 2019
Isoelectric point of metal oxides and binary metal oxides having spinel structure Kittaka, Shigeharu; Morimoto, Tetsuo Journal of Colloid and Interface Science, Vol. 75, Issue 2 https://doi.org/10.1016/0021-9797(80)90464-6	journal	June 1980

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