Direct synthesis of furfuryl alcohol from furfural: catalytic performance of monometallic and bimetallic Mo and Ru phosphides

Bonita, Yolanda; Jain, Varsha; Geng, Feiyang; O'Connell, Timothy P.; Wilson, Woodrow N.; Rai, Neeraj; Hicks, Jason C.

doi:10.1039/c9cy00705a

Title: Direct synthesis of furfuryl alcohol from furfural: catalytic performance of monometallic and bimetallic Mo and Ru phosphides

Abstract

In this work, the catalytic properties of monometallic and bimetallic Ru and Mo phosphides were evaluated for their ability to selectively hydrogenate furfural to furfuryl alcohol. Monometallic MoP showed high selectivity (98%) towards furfuryl alcohol, while RuP and Ru₂P exhibited lower selectivity at comparable conversion. Bimetallic promotional effects were observed with Ru_1.0Mo_1.0P, as the pseudo-first order reaction rate constant for furfural hydrogenation to furfuryl alcohol, k₁, was at least 5× higher than MoP, RuP, and Ru₂P, while maintaining a 99% selectivity. Composition-directed catalytic studies of Ru_xMo_2–xP (0.8 < x < 1.2) provided evidence that Ru rich compositions positively influence k₁, but not the selectivity. The rate constant ratio k₁/(k₂ + k₃) for furfuryl alcohol production compared to methyl furan (k₂) and tetrahyrofurfuryl alcohol (k₃) followed the trend of Ru_1.0Mo_1.0P > Ru_1.2Mo_0.8P > MoP > Ru_0.8Mo_1.2P > RuP > Ru₂P. Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) was used to examine the configuration of adsorbed furfural on the synthesized catalysts, but the results were inconclusive and no correlation could be found with the selectivity due to the possible IR inactive surface modes with furfural adsorption. However, gas phase density functional theory calculations suggested the x = 1.0 material in Ru_xMo_2–xP (0.8more »« less

Authors:

Bonita, Yolanda ^[1]; Jain, Varsha ^[2]; Geng, Feiyang ^[1]; O'Connell, Timothy P. ^[1]; Wilson, Woodrow N. ^[2];

^[2];

^[1]

Univ. of Notre Dame, IN (United States)
Mississippi State Univ., Mississippi State, MS (United States)

Publication Date:: Tue Jun 18 00:00:00 EDT 2019

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of California, Oakland, CA (United States); Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Org.:: USDOE Office of Science (SC); National Science Foundation (NSF); US Air Force Office of Scientific Research (AFOSR)

OSTI Identifier:: 1577572

Grant/Contract Number:: AC02-05CH11231; AC02-06CH11357; FA9550-17-1-0376

Resource Type:: Accepted Manuscript

Journal Name:: Catalysis Science and Technology

Additional Journal Information:: Journal Volume: 9; Journal Issue: 14; Journal ID: ISSN 2044-4753

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Chemistry

Citation Formats


                    Bonita, Yolanda, Jain, Varsha, Geng, Feiyang, O'Connell, Timothy P., Wilson, Woodrow N., Rai, Neeraj, and Hicks, Jason C. Direct synthesis of furfuryl alcohol from furfural: catalytic performance of monometallic and bimetallic Mo and Ru phosphides.  United States: N. p., 2019. 
Web.  doi:10.1039/c9cy00705a.

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                    Bonita, Yolanda, Jain, Varsha, Geng, Feiyang, O'Connell, Timothy P., Wilson, Woodrow N., Rai, Neeraj, & Hicks, Jason C. Direct synthesis of furfuryl alcohol from furfural: catalytic performance of monometallic and bimetallic Mo and Ru phosphides.  United States.  https://doi.org/10.1039/c9cy00705a

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                    Bonita, Yolanda, Jain, Varsha, Geng, Feiyang, O'Connell, Timothy P., Wilson, Woodrow N., Rai, Neeraj, and Hicks, Jason C. Tue .  
"Direct synthesis of furfuryl alcohol from furfural: catalytic performance of monometallic and bimetallic Mo and Ru phosphides".  United States.  https://doi.org/10.1039/c9cy00705a.  https://www.osti.gov/servlets/purl/1577572.

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@article{osti_1577572,

  title        = {Direct synthesis of furfuryl alcohol from furfural: catalytic performance of monometallic and bimetallic Mo and Ru phosphides},

  author       = {Bonita, Yolanda and Jain, Varsha and Geng, Feiyang and O'Connell, Timothy P. and Wilson, Woodrow N. and Rai, Neeraj and Hicks, Jason C.},

  abstractNote = {In this work, the catalytic properties of monometallic and bimetallic Ru and Mo phosphides were evaluated for their ability to selectively hydrogenate furfural to furfuryl alcohol. Monometallic MoP showed high selectivity (98%) towards furfuryl alcohol, while RuP and Ru2P exhibited lower selectivity at comparable conversion. Bimetallic promotional effects were observed with Ru1.0Mo1.0P, as the pseudo-first order reaction rate constant for furfural hydrogenation to furfuryl alcohol, k1, was at least 5× higher than MoP, RuP, and Ru2P, while maintaining a 99% selectivity. Composition-directed catalytic studies of RuxMo2–xP (0.8 < x < 1.2) provided evidence that Ru rich compositions positively influence k1, but not the selectivity. The rate constant ratio k1/(k2 + k3) for furfuryl alcohol production compared to methyl furan (k2) and tetrahyrofurfuryl alcohol (k3) followed the trend of Ru1.0Mo1.0P > Ru1.2Mo0.8P > MoP > Ru0.8Mo1.2P > RuP > Ru2P. Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) was used to examine the configuration of adsorbed furfural on the synthesized catalysts, but the results were inconclusive and no correlation could be found with the selectivity due to the possible IR inactive surface modes with furfural adsorption. However, gas phase density functional theory calculations suggested the x = 1.0 material in RuxMo2–xP (0.8 < x < 1.2) had the most favorable furfural adsorption energy. Experimentally, we also observed that the solvent greatly influenced both the conversion and selectivity, where isopropanol provided the highest selectivity to furfuryl alcohol. Finally, recycling experiments showed a 12% decrease in k1 after 3 cycles without any regeneration, but the activity could be fully recovered through a re-reduction step.},

  doi          = {10.1039/c9cy00705a},

  journal      = {Catalysis Science and Technology},

  number       = 14,

  volume       = 9,

  place        = {United States},

  year         = {Tue Jun 18 00:00:00 EDT 2019},

  month        = {Tue Jun 18 00:00:00 EDT 2019}

}

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Works referencing / citing this record:

Effects of phosphorus addition on selectivity and stability of Pd model catalysts during cyclohexene dehydrogenation
journal, January 2020

Sampath, Abinaya; Flaherty, David W.
Catalysis Science & Technology, Vol. 10, Issue 4
DOI: 10.1039/c9cy02134e

Selective hydrogenation of furfural to tetrahydrofurfuryl alcohol over a Rh-loaded carbon catalyst in aqueous solution under mild conditions
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Matsagar, Babasaheb M.; Hsu, Chang-Yen; Chen, Season S.
Sustainable Energy & Fuels, Vol. 4, Issue 1
DOI: 10.1039/c9se00681h

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Title: Direct synthesis of furfuryl alcohol from furfural: catalytic performance of monometallic and bimetallic Mo and Ru phosphides

Abstract

Citation Formats

Revealing the Hydrogenation Performance of RuMo Phosphide for Chemoselective Reduction of Functionalized Aromatic Hydrocarbons journal, February 2019

The influence of citric acid on the synthesis and activity of high surface area MoP for the hydrodeoxygenation of 4-methylphenol journal, March 2012

Next-nearest neighbour contributions to P 2p3/2 X-ray photoelectron binding energy shifts of mixed transition-metal phosphides M1−xM′xP with the MnP-type structure journal, October 2007

Projector augmented-wave method journal, December 1994

Hydrogenation of furfuryl alcohol to tetrahydrofurfuryl alcohol on NiB/SiO2 amorphous alloy catalyst journal, May 2007

Deactivation mechanistic studies of copper chromite catalyst for selective hydrogenation of 2-furfuraldehyde journal, March 2013

Synthesis and Hydrodeoxygenation Properties of Ruthenium Phosphide Catalysts journal, July 2011

Hydrodeoxygenation of 4-Methylphenol over Unsupported MoP, MoS 2 , and MoO x Catalysts † journal, September 2010

Bifunctional Catalysts for Upgrading of Biomass-Derived Oxygenates: A Review journal, July 2016

Spectroscopic identification of alkoxide, aldehyde, and acyl intermediates in alcohol decomposition on Pd(111) journal, September 1990

Hydrogenation of Furfural with a Pt–Sn Catalyst: The Suitability to Sustainable Industrial Application journal, October 2016

Van der Waals density functionals applied to solids journal, May 2011

Hydrodeoxygenation of Furfural Over Supported Metal Catalysts: A Comparative Study of Cu, Pd and Ni journal, March 2011

Possible importance of a “metal-surface selection rule” in the interpretation of the infrared spectra of molecules adsorbed on particulate metals; infrared spectra from ethylene chemisorbed on silica-supported metal catalysts journal, September 1976

Enhancing the stability of copper chromite catalysts for the selective hydrogenation of furfural using ALD overcoating journal, August 2014

Molybdenum phosphide as an efficient electrocatalyst for the hydrogen evolution reaction journal, January 2014

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

Simplified Statistics for Small Numbers of Observations journal, April 1951

Effects of metal substitution in transition-metal phosphides (Ni1−xM′x)2P (M′ = Cr, Fe, Co) studied by X-ray photoelectron and absorption spectroscopy journal, January 2009

Highly selective hydrogenation of furfural to furfuryl alcohol over Pt nanoparticles supported on g-C3N4 nanosheets catalysts in water journal, June 2016

Copper-cobalt catalyzed liquid phase hydrogenation of furfural to 2-methylfuran: An optimization, kinetics and reaction mechanism study journal, April 2018

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data journal, October 2011

Selective hydrogenation of furfural and levulinic acid to biofuels on the ecofriendly Cu–Fe catalyst journal, January 2014

Adsorption and Reaction of Furfural and Furfuryl Alcohol on Pd(111): Unique Reaction Pathways for Multifunctional Reagents journal, August 2011

Modulating electronic structure of CoP electrocatalysts towards enhanced hydrogen evolution by Ce chemical doping in both acidic and basic media journal, August 2017

Bimetallic PtSn catalyst for the selective hydrogenation of furfural to furfuryl alcohol in liquid-phase journal, July 2009

High selective production of tetrahydrofurfuryl alcohol: Catalytic hydrogenation of furfural and furfuryl alcohol journal, January 1990

A fast and robust algorithm for Bader decomposition of charge density journal, June 2006

Selective conversion of furfural to methylfuran over silica-supported NiFe bimetallic catalysts journal, November 2011

Exploring Furfural Catalytic Conversion on Cu(111) from Computation journal, June 2015

Gas-phase hydrogenation of furfural to furfuryl alcohol over Cu/ZnO catalysts journal, April 2016

Nanoscaled Metal Borides and Phosphides: Recent Developments and Perspectives journal, June 2013

Kinetics of Liquid-Phase Hydrogenation of Furfuraldehyde to Furfuryl Alcohol over a Pt/C Catalyst journal, August 2003

Ab initiomolecular dynamics for liquid metals journal, January 1993

Properties of Copper Chromite Catalysts in Hydrogenation Reactions journal, October 1997

High-precision sampling for Brillouin-zone integration in metals journal, August 1989

202. The hydrogenation of furfuraldehyde to furfuryl alcohol and sylvan (2-methylfuran) journal, January 1947

Highly selective bimetallic FeMoP catalyst for C–O bond cleavage of aryl ethers journal, September 2013

Thiophene hydrodesulfurization over nickel phosphide catalysts: effect of the precursor composition and support journal, April 2005

Metal Phosphide:A Highly Efficient Catalyst for the Selective Hydrodeoxygenation of Furfural to 2‐Methylfuran journal, July 2018

Structure and electronic properties of the orthorhombic MoRuP superconductor prepared at high pressure journal, April 2003

Accurate and efficient algorithm for Bader charge integration journal, February 2011

Kinetics and mechanism of hydrogenation of furfural on Cu/SiO2 catalysts journal, January 2011

Lewis acidic zeolite Beta catalyst for the Meerwein–Ponndorf–Verley reduction of furfural journal, January 2016

Aqueous phase hydrogenation of furfural using carbon-supported Ru and RuSn catalysts journal, November 2017

Resolving ruthenium: XPS studies of common ruthenium materials journal, September 2015

Stabilization of Copper Catalysts for Liquid-Phase Reactions by Atomic Layer Deposition journal, November 2013

Optimization and Kinetic Studies on Hydrogenation of Furfural to Furfuryl Alcohol over SBA-15 Supported Bimetallic Copper–Cobalt Catalyst journal, February 2015

X-ray Photoelectron and Absorption Spectroscopy of Metal-Rich Phosphides M 2 P and M 3 P ( M = Cr−Ni) journal, November 2008

Oxidation states and ionicity journal, October 2018

Effects of Cu–Ni Bimetallic Catalyst Composition and Support on Activity, Selectivity, and Stability for Furfural Conversion to 2-Methyfuran journal, December 2017

Carbon monoxide adsorption and hydrogen-oxygen titration on Ru/Al2O3 journal, June 1979

DFT Study of Furfural Conversion to Furan, Furfuryl Alcohol, and 2-Methylfuran on Pd(111) journal, October 2012

Furfural: A Promising Platform Compound for Sustainable Production of C 4 and C 5 Chemicals journal, October 2016

A Facile Molecular Precursor Route to Metal Phosphide Nanoparticles and Their Evaluation as Hydrodeoxygenation Catalysts journal, November 2015

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Periodic Trends from Metal Substitution in Bimetallic Mo-Based Phosphides for Hydrodeoxygenation and Hydrogenation Reactions journal, December 2017

Ring‐Opening Reaction of Furfural and Tetrahydrofurfuryl Alcohol on Hydrogen‐Predosed Iridium(1 1 1) and Cobalt/Iridium(1 1 1) Surfaces journal, March 2017

The Preparation of Copper-Chromium Oxide Catalysts for Hydrogenation journal, May 1931

Preparation of Unsupported NiMoP Catalysts for 4,6-Dimethyldibenzothiophene Hydrodesulfurization journal, June 2014

Effects of van der Waals density functional corrections on trends in furfural adsorption and hydrogenation on close-packed transition metal surfaces journal, April 2014

The metal-surface selection rule for infrared spectra of molecules adsorbed on small metal particles journal, June 1982

Many-electron singularity in X-ray photoemission and X-ray line spectra from metals journal, February 1970

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

Hydrogen solubility in furfural and 2-propanol: Experiments and modeling journal, September 2017

Perspective: Fifty years of density-functional theory in chemical physics journal, May 2014

Examination of the Bonding in Binary Transition-Metal Monophosphides MP (M = Cr, Mn, Fe, Co) by X-Ray Photoelectron Spectroscopy journal, November 2005

Conversion of furfural and 2-methylpentanal on Pd/SiO2 and Pd–Cu/SiO2 catalysts journal, May 2011

Brønsted–Evans–Polanyi and Transition State Scaling Relations of Furan Derivatives on Pd(111) and Their Relation to Those of Small Molecules journal, December 2013

Electron Counting in Solids: Oxidation States, Partial Charges, and Ionicity journal, April 2017

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal, May 1994

Nickel Phosphide/Silica Catalysts for the Gas-Phase Hydrogenation of Furfural to High-Added-Value Chemicals journal, June 2017

Liquid phase catalytic transfer hydrogenation of furfural over a Ru/C catalyst journal, June 2014

Infrared Study of Adsorbed Molecules on Metal Surfaces by Reflection Techniques journal, January 1966

Decarbonylation and hydrogenation reaction of furfural on Pd/Cu(111) surface journal, January 2017

Catalytic Hydrogen Transfer and Decarbonylation of Aromatic Aldehydes on Ru and Ru Phosphide Model Catalysts journal, June 2018

Mechanistic insights into the structure-dependent selectivity of catalytic furfural conversion on platinum catalysts journal, June 2015

Revealing the Hydrogenation Performance of RuMo Phosphide for Chemoselective Reduction of Functionalized Aromatic Hydrocarbons
journal, February 2019

The influence of citric acid on the synthesis and activity of high surface area MoP for the hydrodeoxygenation of 4-methylphenol
journal, March 2012

Next-nearest neighbour contributions to P 2p3/2 X-ray photoelectron binding energy shifts of mixed transition-metal phosphides M1−xM′xP with the MnP-type structure
journal, October 2007

Projector augmented-wave method
journal, December 1994

Hydrogenation of furfuryl alcohol to tetrahydrofurfuryl alcohol on NiB/SiO2 amorphous alloy catalyst
journal, May 2007

Deactivation mechanistic studies of copper chromite catalyst for selective hydrogenation of 2-furfuraldehyde
journal, March 2013

Synthesis and Hydrodeoxygenation Properties of Ruthenium Phosphide Catalysts
journal, July 2011

Hydrodeoxygenation of 4-Methylphenol over Unsupported MoP, MoS ₂ , and MoO _x Catalysts ^†
journal, September 2010

Bifunctional Catalysts for Upgrading of Biomass-Derived Oxygenates: A Review
journal, July 2016

Spectroscopic identification of alkoxide, aldehyde, and acyl intermediates in alcohol decomposition on Pd(111)
journal, September 1990

Hydrogenation of Furfural with a Pt–Sn Catalyst: The Suitability to Sustainable Industrial Application
journal, October 2016

Van der Waals density functionals applied to solids
journal, May 2011

Hydrodeoxygenation of Furfural Over Supported Metal Catalysts: A Comparative Study of Cu, Pd and Ni
journal, March 2011

Possible importance of a “metal-surface selection rule” in the interpretation of the infrared spectra of molecules adsorbed on particulate metals; infrared spectra from ethylene chemisorbed on silica-supported metal catalysts
journal, September 1976

Enhancing the stability of copper chromite catalysts for the selective hydrogenation of furfural using ALD overcoating
journal, August 2014

Molybdenum phosphide as an efficient electrocatalyst for the hydrogen evolution reaction
journal, January 2014

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Simplified Statistics for Small Numbers of Observations
journal, April 1951

Effects of metal substitution in transition-metal phosphides (Ni1−xM′x)2P (M′ = Cr, Fe, Co) studied by X-ray photoelectron and absorption spectroscopy
journal, January 2009

Highly selective hydrogenation of furfural to furfuryl alcohol over Pt nanoparticles supported on g-C3N4 nanosheets catalysts in water
journal, June 2016

Copper-cobalt catalyzed liquid phase hydrogenation of furfural to 2-methylfuran: An optimization, kinetics and reaction mechanism study
journal, April 2018

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
journal, October 2011

Selective hydrogenation of furfural and levulinic acid to biofuels on the ecofriendly Cu–Fe catalyst
journal, January 2014

Adsorption and Reaction of Furfural and Furfuryl Alcohol on Pd(111): Unique Reaction Pathways for Multifunctional Reagents
journal, August 2011

Modulating electronic structure of CoP electrocatalysts towards enhanced hydrogen evolution by Ce chemical doping in both acidic and basic media
journal, August 2017

Bimetallic PtSn catalyst for the selective hydrogenation of furfural to furfuryl alcohol in liquid-phase
journal, July 2009

High selective production of tetrahydrofurfuryl alcohol: Catalytic hydrogenation of furfural and furfuryl alcohol
journal, January 1990

A fast and robust algorithm for Bader decomposition of charge density
journal, June 2006

Selective conversion of furfural to methylfuran over silica-supported NiFe bimetallic catalysts
journal, November 2011

Exploring Furfural Catalytic Conversion on Cu(111) from Computation
journal, June 2015

Gas-phase hydrogenation of furfural to furfuryl alcohol over Cu/ZnO catalysts
journal, April 2016

Nanoscaled Metal Borides and Phosphides: Recent Developments and Perspectives
journal, June 2013

Kinetics of Liquid-Phase Hydrogenation of Furfuraldehyde to Furfuryl Alcohol over a Pt/C Catalyst
journal, August 2003

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Properties of Copper Chromite Catalysts in Hydrogenation Reactions
journal, October 1997

High-precision sampling for Brillouin-zone integration in metals
journal, August 1989

202. The hydrogenation of furfuraldehyde to furfuryl alcohol and sylvan (2-methylfuran)
journal, January 1947

Highly selective bimetallic FeMoP catalyst for C–O bond cleavage of aryl ethers
journal, September 2013

Thiophene hydrodesulfurization over nickel phosphide catalysts: effect of the precursor composition and support
journal, April 2005

Metal Phosphide:A Highly Efficient Catalyst for the Selective Hydrodeoxygenation of Furfural to 2‐Methylfuran
journal, July 2018

Structure and electronic properties of the orthorhombic MoRuP superconductor prepared at high pressure
journal, April 2003

Accurate and efficient algorithm for Bader charge integration
journal, February 2011

Kinetics and mechanism of hydrogenation of furfural on Cu/SiO2 catalysts
journal, January 2011

Lewis acidic zeolite Beta catalyst for the Meerwein–Ponndorf–Verley reduction of furfural
journal, January 2016

Aqueous phase hydrogenation of furfural using carbon-supported Ru and RuSn catalysts
journal, November 2017

Resolving ruthenium: XPS studies of common ruthenium materials
journal, September 2015

Stabilization of Copper Catalysts for Liquid-Phase Reactions by Atomic Layer Deposition
journal, November 2013

Optimization and Kinetic Studies on Hydrogenation of Furfural to Furfuryl Alcohol over SBA-15 Supported Bimetallic Copper–Cobalt Catalyst
journal, February 2015

X-ray Photoelectron and Absorption Spectroscopy of Metal-Rich Phosphides M ₂ P and M ₃ P ( M = Cr−Ni)
journal, November 2008

Oxidation states and ionicity
journal, October 2018

Effects of Cu–Ni Bimetallic Catalyst Composition and Support on Activity, Selectivity, and Stability for Furfural Conversion to 2-Methyfuran
journal, December 2017

Carbon monoxide adsorption and hydrogen-oxygen titration on Ru/Al2O3
journal, June 1979

DFT Study of Furfural Conversion to Furan, Furfuryl Alcohol, and 2-Methylfuran on Pd(111)
journal, October 2012

Furfural: A Promising Platform Compound for Sustainable Production of C ₄ and C ₅ Chemicals
journal, October 2016

A Facile Molecular Precursor Route to Metal Phosphide Nanoparticles and Their Evaluation as Hydrodeoxygenation Catalysts
journal, November 2015

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Periodic Trends from Metal Substitution in Bimetallic Mo-Based Phosphides for Hydrodeoxygenation and Hydrogenation Reactions
journal, December 2017

Ring‐Opening Reaction of Furfural and Tetrahydrofurfuryl Alcohol on Hydrogen‐Predosed Iridium(1 1 1) and Cobalt/Iridium(1 1 1) Surfaces
journal, March 2017

The Preparation of Copper-Chromium Oxide Catalysts for Hydrogenation
journal, May 1931

Preparation of Unsupported NiMoP Catalysts for 4,6-Dimethyldibenzothiophene Hydrodesulfurization
journal, June 2014

Effects of van der Waals density functional corrections on trends in furfural adsorption and hydrogenation on close-packed transition metal surfaces
journal, April 2014

The metal-surface selection rule for infrared spectra of molecules adsorbed on small metal particles
journal, June 1982

Many-electron singularity in X-ray photoemission and X-ray line spectra from metals
journal, February 1970

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Hydrogen solubility in furfural and 2-propanol: Experiments and modeling
journal, September 2017

Perspective: Fifty years of density-functional theory in chemical physics
journal, May 2014

Examination of the Bonding in Binary Transition-Metal Monophosphides MP (M = Cr, Mn, Fe, Co) by X-Ray Photoelectron Spectroscopy
journal, November 2005

Conversion of furfural and 2-methylpentanal on Pd/SiO2 and Pd–Cu/SiO2 catalysts
journal, May 2011

Brønsted–Evans–Polanyi and Transition State Scaling Relations of Furan Derivatives on Pd(111) and Their Relation to Those of Small Molecules
journal, December 2013

Electron Counting in Solids: Oxidation States, Partial Charges, and Ionicity
journal, April 2017

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994

Nickel Phosphide/Silica Catalysts for the Gas-Phase Hydrogenation of Furfural to High-Added-Value Chemicals
journal, June 2017

Liquid phase catalytic transfer hydrogenation of furfural over a Ru/C catalyst
journal, June 2014

Infrared Study of Adsorbed Molecules on Metal Surfaces by Reflection Techniques
journal, January 1966

Decarbonylation and hydrogenation reaction of furfural on Pd/Cu(111) surface
journal, January 2017

Catalytic Hydrogen Transfer and Decarbonylation of Aromatic Aldehydes on Ru and Ru Phosphide Model Catalysts
journal, June 2018

Mechanistic insights into the structure-dependent selectivity of catalytic furfural conversion on platinum catalysts
journal, June 2015

Iron-Promotion of Silica-Supported Copper Catalysts for Furfural Hydrodeoxygenation
journal, September 2016

Improved grid-based algorithm for Bader charge allocation
journal, January 2007

Hydrogenation of furfural over copper-containing catalysts
journal, February 1981