Nanoassemblies of ultrasmall clusters with remarkable activity in carbon dioxide conversion into C1 fuels

Halder, Avik; Kioseoglou, Joseph; Yang, Bing; Kolipaka, Karthika Lakshmi; Seifert, Soenke; Ilavsky, Jan; Pellin, Michael; Sowwan, Mukhles; Grammatikopoulos, Panagiotis; Vajda, Stefan

doi:10.1039/C8NR06664G

Title: Nanoassemblies of ultrasmall clusters with remarkable activity in carbon dioxide conversion into C1 fuels

Abstract

Cu nanoassemblies formed transiently during reaction from size-selected subnanometer Cu₄ clusters supported on amorphous OH-terminated alumina convert CO₂ into methanol and hydrocarbons under near-atmospheric pressure at rates considerably higher than those of individually standing Cu₄ clusters. An in situ characterization reveals that the clusters self-assemble into 2D nanoassemblies at higher temperatures which then disintegrate upon cooling down to room temperature. DFT calculations postulate a formation mechanism of these nanoassemblies by hydrogen-bond bridges between the clusters and H₂O molecules, which keep the building blocks together while preventing their coalescence.

Authors:

^[1];

^[2];

^[1]; Kolipaka, Karthika Lakshmi ^[1];

^[3]; Ilavsky, Jan ^[3];

^[1]; Sowwan, Mukhles ^[4];

^[4];

^[5]

Materials Science Division, Argonne National Laboratory, Argonne, USA
Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki, Greece
X-ray Science Division, Argonne National Laboratory, Argonne, USA
Nanoparticles by Design Unit, Okinawa Institute of Science and Technology Graduate University, Okinawa 904-0495, Japan
Materials Science Division, Argonne National Laboratory, Argonne, USA, Institute for Molecular Engineering

Publication Date:: Thu Mar 14 00:00:00 EDT 2019

Research Org.:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Org.:: Okinawa Institute of Science and Technology Graduate University (OIST); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

OSTI Identifier:: 1495230

Alternate Identifier(s):: OSTI ID: 1506238

Grant/Contract Number:: AC02-06CH11357

Resource Type:: Published Article

Journal Name:: Nanoscale

Additional Journal Information:: Journal Name: Nanoscale Journal Volume: 11 Journal Issue: 11; Journal ID: ISSN 2040-3364

Publisher:: Royal Society of Chemistry

Country of Publication:: United Kingdom

Language:: English

Subject:: 36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY

Citation Formats


                    Halder, Avik, Kioseoglou, Joseph, Yang, Bing, Kolipaka, Karthika Lakshmi, Seifert, Soenke, Ilavsky, Jan, Pellin, Michael, Sowwan, Mukhles, Grammatikopoulos, Panagiotis, and Vajda, Stefan. Nanoassemblies of ultrasmall clusters with remarkable activity in carbon dioxide conversion into C1 fuels.  United Kingdom: N. p., 2019. 
Web.  doi:10.1039/C8NR06664G.

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                    Halder, Avik, Kioseoglou, Joseph, Yang, Bing, Kolipaka, Karthika Lakshmi, Seifert, Soenke, Ilavsky, Jan, Pellin, Michael, Sowwan, Mukhles, Grammatikopoulos, Panagiotis, & Vajda, Stefan. Nanoassemblies of ultrasmall clusters with remarkable activity in carbon dioxide conversion into C1 fuels.  United Kingdom.  https://doi.org/10.1039/C8NR06664G

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                    Halder, Avik, Kioseoglou, Joseph, Yang, Bing, Kolipaka, Karthika Lakshmi, Seifert, Soenke, Ilavsky, Jan, Pellin, Michael, Sowwan, Mukhles, Grammatikopoulos, Panagiotis, and Vajda, Stefan. Thu .  
"Nanoassemblies of ultrasmall clusters with remarkable activity in carbon dioxide conversion into C1 fuels".  United Kingdom.  https://doi.org/10.1039/C8NR06664G.

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@article{osti_1495230,

  title        = {Nanoassemblies of ultrasmall clusters with remarkable activity in carbon dioxide conversion into C1 fuels},

  author       = {Halder, Avik and Kioseoglou, Joseph and Yang, Bing and Kolipaka, Karthika Lakshmi and Seifert, Soenke and Ilavsky, Jan and Pellin, Michael and Sowwan, Mukhles and Grammatikopoulos, Panagiotis and Vajda, Stefan},

  abstractNote = {Cu nanoassemblies formed transiently during reaction from size-selected subnanometer Cu4 clusters supported on amorphous OH-terminated alumina convert CO2 into methanol and hydrocarbons under near-atmospheric pressure at rates considerably higher than those of individually standing Cu4 clusters. An in situ characterization reveals that the clusters self-assemble into 2D nanoassemblies at higher temperatures which then disintegrate upon cooling down to room temperature. DFT calculations postulate a formation mechanism of these nanoassemblies by hydrogen-bond bridges between the clusters and H2O molecules, which keep the building blocks together while preventing their coalescence.},

  doi          = {10.1039/C8NR06664G},

  journal      = {Nanoscale},

  number       = 11,

  volume       = 11,

  place        = {United Kingdom},

  year         = {Thu Mar 14 00:00:00 EDT 2019},

  month        = {Thu Mar 14 00:00:00 EDT 2019}

}

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Title: Nanoassemblies of ultrasmall clusters with remarkable activity in carbon dioxide conversion into C1 fuels

Abstract

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

Optimising self-assembly through time-dependent interactions journal, December 2016

Isolated Metal Active Site Concentration and Stability Control Catalytic CO 2 Reduction Selectivity journal, February 2015

The effect of particle proximity on the oxygen reduction rate of size-selected platinum clusters journal, July 2013

Polar distortions in hydrogen-bonded organic ferroelectrics journal, July 2011

Increased Silver Activity for Direct Propylene Epoxidation via Subnanometer Size Effects journal, April 2010

Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] journal, February 1997

CO 2 conversion to methanol on Cu( i ) oxide nanolayers and clusters: an electronic structure insight into the reaction mechanism journal, January 2015

Projector augmented-wave method journal, December 1994

Simple analytical model of nanocluster coalescence for porous thin film design journal, December 2014

Highly active copper-ceria and copper-ceria-titania catalysts for methanol synthesis from CO2 journal, July 2014

Charging Effects on Bonding and Catalyzed Oxidation of CO on Au8 Clusters on MgO journal, January 2005

Catalysis by clusters with precise numbers of atoms journal, July 2015

The Structure of the Cu–CuO Sites Determines the Catalytic Activity of Cu Nanoparticles journal, March 2017

Modern Global Climate Change journal, December 2003

Highly efficient Cu-decorated iron oxide nanocatalyst for low pressure CO2 conversion journal, June 2018

Penetration of thin C60 films by metal nanoparticles journal, April 2010

Water dimer properties in the gradient-corrected density functional theory journal, June 1992

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

On the Accuracy of DFT for Describing Hydrogen Bonds: Dependence on the Bond Directionality journal, July 2004

Correlations between synthesis, precursor, and catalyst structure and activity of a large set of CuO/ZnO/Al2O3 catalysts for methanol synthesis journal, September 2008

Carbon Dioxide Conversion to Methanol over Size-Selected Cu 4 Clusters at Low Pressures journal, July 2015

Methanol synthesis and reverse water-gas shift kinetics over clean polycrystalline copper journal, January 1995

The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts journal, April 2012

Self-Supported Interconnected Pt Nanoassemblies as Highly Stable Electrocatalysts for Low-Temperature Fuel Cells journal, June 2012

Active sites of copper-complex catalytic materials for electrochemical carbon dioxide reduction journal, January 2018

Hydrogenation of CO 2 to Methanol: Importance of Metal–Oxide and Metal–Carbide Interfaces in the Activation of CO 2 journal, October 2015

Oxidative dehydrogenation of cyclohexene on size selected subnanometer cobalt clusters: improved catalytic performance via evolution of cluster-assembled nanostructures journal, January 2012

Structure and Energetics of the Hydronium Hydration Shells journal, March 2007

Design of Nanomaterial Synthesis by Aerosol Processes journal, July 2012

Ab initiomolecular dynamics for liquid metals journal, January 1993

Sintering of Catalytic Nanoparticles: Particle Migration or Ostwald Ripening? journal, April 2013

Transformation of Carbon Dioxide journal, June 2007

Anthropogenic Chemical Carbon Cycle for a Sustainable Future journal, August 2011

Copper Cluster Size Effect in Methanol Synthesis from CO 2 journal, May 2017

Support-dependent Performance of Size-selected Subnanometer Cobalt Cluster-based Catalysts in the Dehydrogenation of Cyclohexene journal, August 2012

Catalyst support effects on hydrogen spillover journal, January 2017

Simultaneous measurement of X-ray small angle scattering, absorption and reactivity: A continuous flow catalysis reactor journal, September 2011

Atomically precise (catalytic) particles synthesized by a novel cluster deposition instrument journal, May 2014

Reactivity of Metal Clusters journal, November 2016

Pinning of size-selected gold and nickel nanoclusters on graphite journal, August 2005

Gaussian density functional calculations on hydrogen-bonded systems journal, May 1992

Size-Selected Platinum Clusters as Electrocatalysts for the Oxygen Reduction Reaction journal, March 2013

A refinement of the crystal structure of copper(II) oxide with a discussion of some exceptional e.s.d.'s journal, January 1970

The p-type conduction mechanism in Cu2O: a first principles study journal, January 2006

Generalized Gradient Approximation Made Simple
journal, October 1996

Optimising self-assembly through time-dependent interactions
journal, December 2016

Isolated Metal Active Site Concentration and Stability Control Catalytic CO ₂ Reduction Selectivity
journal, February 2015

The effect of particle proximity on the oxygen reduction rate of size-selected platinum clusters
journal, July 2013

Polar distortions in hydrogen-bonded organic ferroelectrics
journal, July 2011

Increased Silver Activity for Direct Propylene Epoxidation via Subnanometer Size Effects
journal, April 2010

Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
journal, February 1997

CO ₂ conversion to methanol on Cu( i ) oxide nanolayers and clusters: an electronic structure insight into the reaction mechanism
journal, January 2015

Projector augmented-wave method
journal, December 1994

Simple analytical model of nanocluster coalescence for porous thin film design
journal, December 2014

Highly active copper-ceria and copper-ceria-titania catalysts for methanol synthesis from CO2
journal, July 2014

Charging Effects on Bonding and Catalyzed Oxidation of CO on Au₈ Clusters on MgO
journal, January 2005

Catalysis by clusters with precise numbers of atoms
journal, July 2015

The Structure of the Cu–CuO Sites Determines the Catalytic Activity of Cu Nanoparticles
journal, March 2017

Modern Global Climate Change
journal, December 2003

Highly efficient Cu-decorated iron oxide nanocatalyst for low pressure CO2 conversion
journal, June 2018

Penetration of thin C60 films by metal nanoparticles
journal, April 2010

Water dimer properties in the gradient-corrected density functional theory
journal, June 1992

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

On the Accuracy of DFT for Describing Hydrogen Bonds: Dependence on the Bond Directionality
journal, July 2004

Correlations between synthesis, precursor, and catalyst structure and activity of a large set of CuO/ZnO/Al2O3 catalysts for methanol synthesis
journal, September 2008

Carbon Dioxide Conversion to Methanol over Size-Selected Cu ₄ Clusters at Low Pressures
journal, July 2015

Methanol synthesis and reverse water-gas shift kinetics over clean polycrystalline copper
journal, January 1995

The Active Site of Methanol Synthesis over Cu/ZnO/Al₂O₃ Industrial Catalysts
journal, April 2012

Self-Supported Interconnected Pt Nanoassemblies as Highly Stable Electrocatalysts for Low-Temperature Fuel Cells
journal, June 2012

Active sites of copper-complex catalytic materials for electrochemical carbon dioxide reduction
journal, January 2018

Hydrogenation of CO ₂ to Methanol: Importance of Metal–Oxide and Metal–Carbide Interfaces in the Activation of CO ₂
journal, October 2015

Oxidative dehydrogenation of cyclohexene on size selected subnanometer cobalt clusters: improved catalytic performance via evolution of cluster-assembled nanostructures
journal, January 2012

Structure and Energetics of the Hydronium Hydration Shells
journal, March 2007

Design of Nanomaterial Synthesis by Aerosol Processes
journal, July 2012

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Sintering of Catalytic Nanoparticles: Particle Migration or Ostwald Ripening?
journal, April 2013

Transformation of Carbon Dioxide
journal, June 2007

Anthropogenic Chemical Carbon Cycle for a Sustainable Future
journal, August 2011

Copper Cluster Size Effect in Methanol Synthesis from CO ₂
journal, May 2017

Support-dependent Performance of Size-selected Subnanometer Cobalt Cluster-based Catalysts in the Dehydrogenation of Cyclohexene
journal, August 2012

Catalyst support effects on hydrogen spillover
journal, January 2017

Simultaneous measurement of X-ray small angle scattering, absorption and reactivity: A continuous flow catalysis reactor
journal, September 2011

Atomically precise (catalytic) particles synthesized by a novel cluster deposition instrument
journal, May 2014

Reactivity of Metal Clusters
journal, November 2016

Pinning of size-selected gold and nickel nanoclusters on graphite
journal, August 2005

Gaussian density functional calculations on hydrogen-bonded systems
journal, May 1992

Size-Selected Platinum Clusters as Electrocatalysts for the Oxygen Reduction Reaction
journal, March 2013

A refinement of the crystal structure of copper(II) oxide with a discussion of some exceptional e.s.d.'s
journal, January 1970

The p-type conduction mechanism in Cu2O: a first principles study
journal, January 2006