Operando Structure Determination of Cu and Zn on Supported MgO/SiO2 Catalysts during Ethanol Conversion to 1,3-Butadiene

Taifan, William E.; Li, Yuanyuan; Baltrus, John P.; Zhang, Lihua; Frenkel, Anatoly I.; Baltrusaitis, Jonas

doi:10.1021/acscatal.8b03515

Title: Operando Structure Determination of Cu and Zn on Supported MgO/SiO₂ Catalysts during Ethanol Conversion to 1,3-Butadiene

Abstract

The electronic structure and reactivity of Cu- and Zn-promoted wet-kneaded MgO/SiO₂ catalysts was interrogated during ethanol reaction to 1,3-BD. A multimodal nature of characterization, including in situ or operando X-ray, electron, light spectroscopies, and steady state reactivity measurements demonstrated critical information on the temporal evolution of the catalyst active sites including key measurements performed in operando conditions using synchrotron techniques (EXAFS and XANES). In situ DRIFT spectroscopy allowed decoupling of the aldol condensation and dehydrogenation reactive steps due to the promotion with enhanced ability to carry out aldol condensation, as correlated with the steady state reactivity experiments. In situ UV–vis spectroscopy presented a complex picture of the adsorbates with π–π* electronic transitions due to the allylic cations, cyclic or aromatic species while also suggesting oligomeric CuO species were formed. Operando X-ray measurements combined with ab initio multiple scattering modeling performed as a function of temperature identified a transient intermediate assigned to a 4-fold coordinate Cu species that was key leading to increase in Cu–Cu pair number. We identified two types of Zn pairs, namely Zn–O and Zn–Mg, during X-ray analysis under operating conditions. With Zn nearly 6-coordinated when in the vicinity of Mg while Zn–O species coordinated to nearly 4more »« less

Authors:

Taifan, William E. ^[1]; Li, Yuanyuan ^[2]; Baltrus, John P. ^[3]; Zhang, Lihua ^[4];

^[5];

^[1]

Lehigh Univ., Bethlehem, PA (United States)
Stony Brook Univ., NY (United States)
National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., NY (United States)

Publication Date:: Mon Nov 26 00:00:00 EST 2018

Research Org.:: Brookhaven National Laboratory (BNL), Upton, NY (United States); National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1492773

Alternate Identifier(s):: OSTI ID: 1532672

Report Number(s):: BNL-210922-2019-JAAM; NETL-PUB-21841
Journal ID: ISSN 2155-5435

Grant/Contract Number:: SC0012704

Resource Type:: Accepted Manuscript

Journal Name:: ACS Catalysis

Additional Journal Information:: Journal Volume: 9; Journal Issue: 1; Journal ID: ISSN 2155-5435

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; ethanol; 1,3-butadiene; MgO/SiO2; operando; spectroscopy; XANES; EXAFS

Citation Formats


                    Taifan, William E., Li, Yuanyuan, Baltrus, John P., Zhang, Lihua, Frenkel, Anatoly I., and Baltrusaitis, Jonas. Operando Structure Determination of Cu and Zn on Supported MgO/SiO2 Catalysts during Ethanol Conversion to 1,3-Butadiene.  United States: N. p., 2018. 
Web.  doi:10.1021/acscatal.8b03515.

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                    Taifan, William E., Li, Yuanyuan, Baltrus, John P., Zhang, Lihua, Frenkel, Anatoly I., & Baltrusaitis, Jonas. Operando Structure Determination of Cu and Zn on Supported MgO/SiO2 Catalysts during Ethanol Conversion to 1,3-Butadiene.  United States.  https://doi.org/10.1021/acscatal.8b03515

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                    Taifan, William E., Li, Yuanyuan, Baltrus, John P., Zhang, Lihua, Frenkel, Anatoly I., and Baltrusaitis, Jonas. Mon .  
"Operando Structure Determination of Cu and Zn on Supported MgO/SiO2 Catalysts during Ethanol Conversion to 1,3-Butadiene".  United States.  https://doi.org/10.1021/acscatal.8b03515.  https://www.osti.gov/servlets/purl/1492773.

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@article{osti_1492773,

  title        = {Operando Structure Determination of Cu and Zn on Supported MgO/SiO2 Catalysts during Ethanol Conversion to 1,3-Butadiene},

  author       = {Taifan, William E. and Li, Yuanyuan and Baltrus, John P. and Zhang, Lihua and Frenkel, Anatoly I. and Baltrusaitis, Jonas},

  abstractNote = {The electronic structure and reactivity of Cu- and Zn-promoted wet-kneaded MgO/SiO2 catalysts was interrogated during ethanol reaction to 1,3-BD. A multimodal nature of characterization, including in situ or operando X-ray, electron, light spectroscopies, and steady state reactivity measurements demonstrated critical information on the temporal evolution of the catalyst active sites including key measurements performed in operando conditions using synchrotron techniques (EXAFS and XANES). In situ DRIFT spectroscopy allowed decoupling of the aldol condensation and dehydrogenation reactive steps due to the promotion with enhanced ability to carry out aldol condensation, as correlated with the steady state reactivity experiments. In situ UV–vis spectroscopy presented a complex picture of the adsorbates with π–π* electronic transitions due to the allylic cations, cyclic or aromatic species while also suggesting oligomeric CuO species were formed. Operando X-ray measurements combined with ab initio multiple scattering modeling performed as a function of temperature identified a transient intermediate assigned to a 4-fold coordinate Cu species that was key leading to increase in Cu–Cu pair number. We identified two types of Zn pairs, namely Zn–O and Zn–Mg, during X-ray analysis under operating conditions. With Zn nearly 6-coordinated when in the vicinity of Mg while Zn–O species coordinated to nearly 4 nearest neighbors. The data suggest that such supported catalyst deactivation might proceed not only via carbon coking mechanism but also through the dispersed Cu site diffusion and growth due to the nearest neighbor oxygen atoms loss. Furthermore, the results presented suggest intermediates for segregation/deactivation mechanisms for a broader set of supported Cu and Zn catalysts used for alcohol upgrading catalytic reactions.},

  doi          = {10.1021/acscatal.8b03515},

  journal      = {ACS Catalysis},

  number       = 1,

  volume       = 9,

  place        = {United States},

  year         = {Mon Nov 26 00:00:00 EST 2018},

  month        = {Mon Nov 26 00:00:00 EST 2018}

}

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DOI: 10.1016/j.molcata.2005.01.048

Cu K -edge x-ray-absorption spectroscopic study on the octahedrally coordinated trivalent copper in the perovskite-related compounds ${La}_{2}$ ${Li}_{0.5}$ ${Cu}_{0.5}$ $O_{4}$ and ${LaCuO}_{3}$
journal, December 1994

Choy, Jin-Ho; Kim, Dong-Kuk; Hwang, Sung-Ho
Physical Review B, Vol. 50, Issue 22
DOI: 10.1103/PhysRevB.50.16631

Electronic absorption spectra of ${Cu}^{2 +}$ in $MgO$ : Ab initio theory and experiment
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Pascual, José Luis; Savoini, B.; González, R.
Physical Review B, Vol. 70, Issue 4
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Parameter-free calculations of X-ray spectra with FEFF9
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Physical Chemistry Chemical Physics, Vol. 12, Issue 21
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DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds
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Kelly, Rebekah A.; Andrews, Joy C.; DeWitt, Jane G.
Microchemical Journal, Vol. 71, Issue 2-3
DOI: 10.1016/S0026-265X(02)00015-2

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Waychunas, G. A.; Fuller, C. C.; Davis, J. A.
Geochimica et Cosmochimica Acta, Vol. 67, Issue 5
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Orientation-Dependent Local Structural Properties of Zn_1−xMgxO Nanorods Studied by Extended X-Ray Absorption Fine Structure
journal, March 2013

Jeong, E. -S.; Park, Changin; Jin, Zhenlan
Journal of Nanoscience and Nanotechnology, Vol. 13, Issue 3
DOI: 10.1166/jnn.2013.6966

Works referencing / citing this record:

Study of Ethanol/Acetaldehyde to 1,3-Butadiene Over MgO–SiO2 Catalyst: Comparative Investigation of Deactivation Behaviour Due to Carbon Deposition
journal, November 2019

Zhang, Minhua; Qin, Yu’nan; Tan, Xuechao
Catalysis Letters, Vol. 150, Issue 5
DOI: 10.1007/s10562-019-03049-2

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Title: Operando Structure Determination of Cu and Zn on Supported MgO/SiO2 Catalysts during Ethanol Conversion to 1,3-Butadiene

Abstract

Citation Formats

Potential of bioethanol as a chemical building block for biorefineries: Preliminary sustainability assessment of 12 bioethanol-based products journal, May 2013

From Sugars to Wheels: The Conversion of Ethanol to 1,3-Butadiene over Metal-Promoted Magnesia-Silicate Catalysts journal, May 2016

Recent Breakthroughs in the Conversion of Ethanol to Butadiene journal, December 2016

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With Open Arms: Open Sites of ZrBEA Zeolite Facilitate Selective Synthesis of Butadiene from Ethanol journal, July 2015

Catalytic conversion of ethanol to 1,3-butadiene on MgO: A comprehensive mechanism elucidation using DFT calculations journal, February 2017

Mechanistic Study on the Lewis Acid Catalyzed Synthesis of 1,3-Butadiene over Ta-BEA Using Modulated Operando DRIFTS-MS journal, September 2016

Mechanistic study of ethanol conversion into butadiene over silver promoted zirconia catalysts journal, October 2017

On the Chemistry of Ethanol on Basic Oxides: Revising Mechanisms and Intermediates in the Lebedev and Guerbet reactions journal, December 2014

Study on key step of 1,3-butadiene formation from ethanol on MgO/SiO 2 journal, January 2015

Experimental and computational studies of the roles of MgO and Zn in talc for the selective formation of 1,3-butadiene in the conversion of ethanol journal, January 2016

Effect of Preparation Method and CuO Promotion in the Conversion of Ethanol into 1,3-Butadiene over SiO 2 -MgO Catalysts journal, July 2014

Ethanol Conversion to 1,3-Butadiene on ZnO/MgO–SiO2 Catalysts: Effect of ZnO Content and MgO:SiO2 Ratio journal, March 2015

Ethanol to 1,3-Butadiene Conversion by using ZrZn-Containing MgO/SiO 2 Systems Prepared by Co-precipitation and Effect of Catalyst Acidity Modification journal, June 2016

Pronounced catalytic activity and selectivity of MgO–SiO 2 –Na 2 O for synthesis of buta-1,3-diene from ethanol journal, January 1985

Design of a Metal-Promoted Oxide Catalyst for the Selective Synthesis of Butadiene from Ethanol journal, August 2014

Catalytic study of the conversion of ethanol into 1,3-butadiene journal, December 2012

Investigations into the conversion of ethanol into 1,3-butadiene journal, January 2011

Catalysis by Gold journal, January 1999

Ethanol dehydrogenation by gold catalysts: The effect of the gold particle size and the presence of oxygen journal, June 2009

Acetaldehyde: a chemical whose fortunes have changed journal, December 1983

Mechanistic Study of Ethanol Dehydrogenation over Silica-Supported Silver journal, May 2013

Dehydrogenation of ethanol over copper catalysts on rice husk ash prepared by incipient wetness impregnation journal, June 2003

Ethanol dehydrogenation over copper catalysts on rice husk ash prepared by ion exchange journal, May 2006

Ternary Ag/MgO-SiO 2 Catalysts for the Conversion of Ethanol into Butadiene journal, November 2014

Ex Situ and Operando Studies on the Role of Copper in Cu-Promoted SiO 2 –MgO Catalysts for the Lebedev Ethanol-to-Butadiene Process journal, September 2015

Ethanol Conversion into 1,3-Butadiene by the Lebedev Method over MTaSiBEA Zeolites (M = Ag, Cu, Zn) journal, January 2017

One-step catalytic conversion of ethanol into 1,3-butadiene using zinc-containing talc journal, August 2015

Conversion of ethanol to 1,3-butadiene over Na doped Zn Zr O mixed metal oxides journal, January 2016

First principles study of adsorbed Cun (n=1–4) microclusters on MgO(100): Structural and electronic properties journal, March 1998

Supported nickel and copper clusters on MgO(100): A first‐principles calculation on the metal/oxide interface journal, May 1996

A structure model as the origin of catalytic properties of metal-doped MgO systems journal, January 1988

In situ X-ray absorption measurements of the Cu/MgO() interface journal, June 2002

Reaction of H2S with MgO(100) and Cu/MgO(100) surfaces: Band-gap size and chemical reactivity journal, November 1999

Interaction of SO 2 with MgO(100) and Cu/MgO(100): Decomposition Reactions and the Formation of SO 3 and SO 4 journal, August 2000

Adsorption of single Ag and Cu atoms on regular and defective MgO(001) substrates: an ab initio study journal, May 2004

Adsorption of transition metal atoms on oxygen vacancies and regular sites of the MgO(001) surface journal, May 1999

Ultraviolet–Visible Spectroscopy and Temperature-Programmed Techniques as Tools for Structural Characterization of Cu in CuMgAlO x Mixed Metal Oxides journal, August 2012

Role of the Cu-ZrO 2 Interfacial Sites for Conversion of Ethanol to Ethyl Acetate and Synthesis of Methanol from CO 2 and H 2 journal, September 2016

X-ray absorption near edge structures (xanes) of Cu/ZnO/Al2O3 Co shift catalysts journal, December 1980

Relevance of the Drying Step in the Preparation by Impregnation of Zn/SiO2 Supported Catalysts journal, March 2003

Synthesis of Nanosized ZnO/MgO Solid and Its Catalytic Activity for CO Oxidation journal, November 2008

Transformation of ethanol into 1,3-butadiene over magnesium oxide/silica catalysts journal, January 1988

In situ cell for combined XRD and on-line catalysis tests: Studies of Cu-based water gas shift and methanol catalysts journal, December 1991

Role of Magnesium Silicates in Wet-Kneaded Silica–Magnesia Catalysts for the Lebedev Ethanol-to-Butadiene Process journal, May 2016

Infrared Characterization of Hydroxyl Groups on MgO: A Periodic and Cluster Density Functional Theory Study journal, April 2007

Cu and Cu-Based Nanoparticles: Synthesis and Applications in Catalysis journal, March 2016

Physicochemical properties of copper oxide loaded alumina in methane combustion journal, January 1990

The hydroxylated surface of MgO powders and the formation of surface sites journal, January 1988

Highly dispersed zinc oxide species on silica as active sites for photoepoxidation of propene by molecular oxygen journal, November 2003

ZnO/MgO containing ZnO nanoparticles as a highly effective heterogeneous base catalyst for the synthesis of 4H-pyrans and coumarins in [bmim]BF4 journal, March 2011

Bimetallic Zn and Hf on Silica Catalysts for the Conversion of Ethanol to 1,3-Butadiene journal, May 2015

Adsorption and Activation of NH3 during Selective Catalytic Reduction of NO by NH3 journal, July 2006

CuO–SiO2 Sol–Gel Catalysts: Characterization and Catalytic Properties for NO Reduction journal, October 1999

Generalized molybdenum oxide surface chemical state XPS determination via informed amorphous sample model journal, January 2015

Study of acetaldehyde condensation chemistry over magnesia and zirconia supported on silica journal, December 2010

Spontaneous polymerization of acetaldehyde to polyacetaldehyde at close to dry-ice temperature journal, September 1966

Evolution of carbonaceous deposits on H-mordenite and Pt-doped H-mordenite during n-butane conversion journal, December 2012

Effects of Coke Deposits on the Catalytic Performance of Large Zeolite H-ZSM-5 Crystals during Alcohol-to-Hydrocarbon Reactions as Investigated by a Combination of Optical Spectroscopy and Microscopy journal, October 2015

In situ MAS NMR–UV/Vis investigation of H-SAPO-34 catalysts partially coked in the methanol-to-olefin conversion under continuous-flow conditions and of their regeneration journal, September 2007

In Situ Spectroscopic Insights on the Molecular Structure of the MgO/SiO 2 Catalytic Active Sites during Ethanol Conversion to 1,3-Butadiene journal, August 2018

The Role of Cyclopentadienium Ions in Methanol-to-Hydrocarbons Chemistry journal, September 2014

Generation, Characterization, and Transformations of Unsaturated Carbenium Ions in Zeolites journal, July 1999

Isomerization of n-butane and of n-pentane in the presence of sulfated zirconia: formation of surface deposits investigated by in situ UV–vis diffuse reflectance spectroscopy journal, September 2003

Electronic spectroscopy and methyl internal rotation dynamics of 9,10-dimethylanthracene journal, September 2005

Formation of alkenyl carbenium ions by adsorption of cyclic precursors on zeolites journal, April 2002

Combined Operando UV/Vis/IR Spectroscopy Reveals the Role of Methoxy and Aromatic Species during the Methanol-to-Olefins Reaction over H-SAPO-34 journal, October 2014

Coke Formation during the Methanol-to-Olefin Conversion: In Situ Microspectroscopy on Individual H-ZSM-5 Crystals with Different Brønsted Acidity journal, February 2011

Space- and Time-Resolved In-situ Spectroscopy on the Coke Formation in Molecular Sieves: Methanol-to-Olefin Conversion over H-ZSM-5 and H-SAPO-34 journal, November 2008

Mechanistic Studies on Chabazite-Type Methanol-to-Olefin Catalysts: Insights from Time-Resolved UV/Vis Microspectroscopy Combined with Theoretical Simulations journal, November 2012

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Fe modified CuMnZrO2 catalysts for higher alcohols synthesis from syngas: Effect of calcination temperature journal, June 2005

Cu K -edge x-ray-absorption spectroscopic study on the octahedrally coordinated trivalent copper in the perovskite-related compounds La 2 Li 0.5 Cu 0.5 O 4 and LaCuO 3 journal, December 1994

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Parameter-free calculations of X-ray spectra with FEFF9 journal, January 2010

DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds book, January 2004

Environment of Ni, Co and Zn in low alkali borate glasses: information from EXAFS and XANES spectra journal, November 2001

Title: Operando Structure Determination of Cu and Zn on Supported MgO/SiO₂ Catalysts during Ethanol Conversion to 1,3-Butadiene

Potential of bioethanol as a chemical building block for biorefineries: Preliminary sustainability assessment of 12 bioethanol-based products
journal, May 2013

From Sugars to Wheels: The Conversion of Ethanol to 1,3-Butadiene over Metal-Promoted Magnesia-Silicate Catalysts
journal, May 2016

Recent Breakthroughs in the Conversion of Ethanol to Butadiene
journal, December 2016

Ag-Promoted ZrBEA Zeolites Obtained by Post-Synthetic Modification for Conversion of Ethanol to Butadiene
journal, July 2016

With Open Arms: Open Sites of ZrBEA Zeolite Facilitate Selective Synthesis of Butadiene from Ethanol
journal, July 2015

Catalytic conversion of ethanol to 1,3-butadiene on MgO: A comprehensive mechanism elucidation using DFT calculations
journal, February 2017

Mechanistic Study on the Lewis Acid Catalyzed Synthesis of 1,3-Butadiene over Ta-BEA Using Modulated Operando DRIFTS-MS
journal, September 2016

Mechanistic study of ethanol conversion into butadiene over silver promoted zirconia catalysts
journal, October 2017

On the Chemistry of Ethanol on Basic Oxides: Revising Mechanisms and Intermediates in the Lebedev and Guerbet reactions
journal, December 2014

Study on key step of 1,3-butadiene formation from ethanol on MgO/SiO ₂
journal, January 2015

Experimental and computational studies of the roles of MgO and Zn in talc for the selective formation of 1,3-butadiene in the conversion of ethanol
journal, January 2016

Effect of Preparation Method and CuO Promotion in the Conversion of Ethanol into 1,3-Butadiene over SiO ₂ -MgO Catalysts
journal, July 2014

Ethanol Conversion to 1,3-Butadiene on ZnO/MgO–SiO2 Catalysts: Effect of ZnO Content and MgO:SiO2 Ratio
journal, March 2015

Ethanol to 1,3-Butadiene Conversion by using ZrZn-Containing MgO/SiO ₂ Systems Prepared by Co-precipitation and Effect of Catalyst Acidity Modification
journal, June 2016

Pronounced catalytic activity and selectivity of MgO–SiO ₂ –Na ₂ O for synthesis of buta-1,3-diene from ethanol
journal, January 1985

Design of a Metal-Promoted Oxide Catalyst for the Selective Synthesis of Butadiene from Ethanol
journal, August 2014

Catalytic study of the conversion of ethanol into 1,3-butadiene
journal, December 2012

Investigations into the conversion of ethanol into 1,3-butadiene
journal, January 2011

Catalysis by Gold
journal, January 1999

Ethanol dehydrogenation by gold catalysts: The effect of the gold particle size and the presence of oxygen
journal, June 2009

Acetaldehyde: a chemical whose fortunes have changed
journal, December 1983

Mechanistic Study of Ethanol Dehydrogenation over Silica-Supported Silver
journal, May 2013

Dehydrogenation of ethanol over copper catalysts on rice husk ash prepared by incipient wetness impregnation
journal, June 2003

Ethanol dehydrogenation over copper catalysts on rice husk ash prepared by ion exchange
journal, May 2006

Ternary Ag/MgO-SiO ₂ Catalysts for the Conversion of Ethanol into Butadiene
journal, November 2014

Ex Situ and Operando Studies on the Role of Copper in Cu-Promoted SiO ₂ –MgO Catalysts for the Lebedev Ethanol-to-Butadiene Process
journal, September 2015

Ethanol Conversion into 1,3-Butadiene by the Lebedev Method over MTaSiBEA Zeolites (M = Ag, Cu, Zn)
journal, January 2017

One-step catalytic conversion of ethanol into 1,3-butadiene using zinc-containing talc
journal, August 2015

Conversion of ethanol to 1,3-butadiene over Na doped Zn Zr O mixed metal oxides
journal, January 2016

First principles study of adsorbed Cun (n=1–4) microclusters on MgO(100): Structural and electronic properties
journal, March 1998

Supported nickel and copper clusters on MgO(100): A first‐principles calculation on the metal/oxide interface
journal, May 1996

A structure model as the origin of catalytic properties of metal-doped MgO systems
journal, January 1988

In situ X-ray absorption measurements of the Cu/MgO() interface
journal, June 2002

Reaction of H2S with MgO(100) and Cu/MgO(100) surfaces: Band-gap size and chemical reactivity
journal, November 1999

Interaction of SO ₂ with MgO(100) and Cu/MgO(100): Decomposition Reactions and the Formation of SO ₃ and SO ₄
journal, August 2000

Adsorption of single Ag and Cu atoms on regular and defective MgO(001) substrates: an ab initio study
journal, May 2004

Adsorption of transition metal atoms on oxygen vacancies and regular sites of the MgO(001) surface
journal, May 1999

Ultraviolet–Visible Spectroscopy and Temperature-Programmed Techniques as Tools for Structural Characterization of Cu in CuMgAlO _x Mixed Metal Oxides
journal, August 2012

Role of the Cu-ZrO ₂ Interfacial Sites for Conversion of Ethanol to Ethyl Acetate and Synthesis of Methanol from CO ₂ and H ₂
journal, September 2016

X-ray absorption near edge structures (xanes) of Cu/ZnO/Al2O3 Co shift catalysts
journal, December 1980

Relevance of the Drying Step in the Preparation by Impregnation of Zn/SiO₂ Supported Catalysts
journal, March 2003

Synthesis of Nanosized ZnO/MgO Solid and Its Catalytic Activity for CO Oxidation
journal, November 2008

Transformation of ethanol into 1,3-butadiene over magnesium oxide/silica catalysts
journal, January 1988

In situ cell for combined XRD and on-line catalysis tests: Studies of Cu-based water gas shift and methanol catalysts
journal, December 1991

Role of Magnesium Silicates in Wet-Kneaded Silica–Magnesia Catalysts for the Lebedev Ethanol-to-Butadiene Process
journal, May 2016

Infrared Characterization of Hydroxyl Groups on MgO: A Periodic and Cluster Density Functional Theory Study
journal, April 2007

Cu and Cu-Based Nanoparticles: Synthesis and Applications in Catalysis
journal, March 2016

Physicochemical properties of copper oxide loaded alumina in methane combustion
journal, January 1990

The hydroxylated surface of MgO powders and the formation of surface sites
journal, January 1988

Highly dispersed zinc oxide species on silica as active sites for photoepoxidation of propene by molecular oxygen
journal, November 2003

ZnO/MgO containing ZnO nanoparticles as a highly effective heterogeneous base catalyst for the synthesis of 4H-pyrans and coumarins in [bmim]BF4
journal, March 2011

Bimetallic Zn and Hf on Silica Catalysts for the Conversion of Ethanol to 1,3-Butadiene
journal, May 2015

Adsorption and Activation of NH3 during Selective Catalytic Reduction of NO by NH3
journal, July 2006

CuO–SiO2 Sol–Gel Catalysts: Characterization and Catalytic Properties for NO Reduction
journal, October 1999

Generalized molybdenum oxide surface chemical state XPS determination via informed amorphous sample model
journal, January 2015

Study of acetaldehyde condensation chemistry over magnesia and zirconia supported on silica
journal, December 2010

Spontaneous polymerization of acetaldehyde to polyacetaldehyde at close to dry-ice temperature
journal, September 1966

Evolution of carbonaceous deposits on H-mordenite and Pt-doped H-mordenite during n-butane conversion
journal, December 2012

Effects of Coke Deposits on the Catalytic Performance of Large Zeolite H-ZSM-5 Crystals during Alcohol-to-Hydrocarbon Reactions as Investigated by a Combination of Optical Spectroscopy and Microscopy
journal, October 2015

In situ MAS NMR–UV/Vis investigation of H-SAPO-34 catalysts partially coked in the methanol-to-olefin conversion under continuous-flow conditions and of their regeneration
journal, September 2007

In Situ Spectroscopic Insights on the Molecular Structure of the MgO/SiO ₂ Catalytic Active Sites during Ethanol Conversion to 1,3-Butadiene
journal, August 2018

The Role of Cyclopentadienium Ions in Methanol-to-Hydrocarbons Chemistry
journal, September 2014

Generation, Characterization, and Transformations of Unsaturated Carbenium Ions in Zeolites
journal, July 1999

Isomerization of n-butane and of n-pentane in the presence of sulfated zirconia: formation of surface deposits investigated by in situ UV–vis diffuse reflectance spectroscopy
journal, September 2003

Electronic spectroscopy and methyl internal rotation dynamics of 9,10-dimethylanthracene
journal, September 2005

Formation of alkenyl carbenium ions by adsorption of cyclic precursors on zeolites
journal, April 2002

Combined Operando UV/Vis/IR Spectroscopy Reveals the Role of Methoxy and Aromatic Species during the Methanol-to-Olefins Reaction over H-SAPO-34
journal, October 2014

Coke Formation during the Methanol-to-Olefin Conversion: In Situ Microspectroscopy on Individual H-ZSM-5 Crystals with Different Brønsted Acidity
journal, February 2011

Space- and Time-Resolved In-situ Spectroscopy on the Coke Formation in Molecular Sieves: Methanol-to-Olefin Conversion over H-ZSM-5 and H-SAPO-34
journal, November 2008

Mechanistic Studies on Chabazite-Type Methanol-to-Olefin Catalysts: Insights from Time-Resolved UV/Vis Microspectroscopy Combined with Theoretical Simulations
journal, November 2012

Cu–Mn mixed oxides for low temperature NO reduction with NH3
journal, February 2006

Fe modified CuMnZrO2 catalysts for higher alcohols synthesis from syngas: Effect of calcination temperature
journal, June 2005

Cu K -edge x-ray-absorption spectroscopic study on the octahedrally coordinated trivalent copper in the perovskite-related compounds ${La}_{2}$ ${Li}_{0.5}$ ${Cu}_{0.5}$ $O_{4}$ and ${LaCuO}_{3}$
journal, December 1994

Electronic absorption spectra of ${Cu}^{2 +}$ in $MgO$ : Ab initio theory and experiment
journal, July 2004

Parameter-free calculations of X-ray spectra with FEFF9
journal, January 2010

DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds
book, January 2004

Environment of Ni, Co and Zn in low alkali borate glasses: information from EXAFS and XANES spectra
journal, November 2001

XAS study of Zn-doped Al2O3 after thermal treatment
journal, June 2005

An X-ray absorption spectroscopic investigation of the nature of the zinc complex accumulated in Datura innoxia plant tissue culture
journal, April 2002