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Title: Catalytic properties of model supported nanoparticles

Abstract

Nanoparticles of late transition metals are used as catalysts and electrocatalysts for industrial chemical reactions that produce fuels, convert chemical energy to electricity and clean up pollution associated with the generation and use of these fuels. For such applications, metals are usually bonded onto the surfaces of oxide or carbon support materials. To provide the energy needed for sustained economic development, we must develop new and improved solid catalysts and electrocatalysts for a variety of reactions that take better advantage of traditional and alternate energy sources (solar, wind, biomass, etc.) and avoid serious environmental problems. Additionally, since these metals are often expensive and in limited supply (e.g., Pt), we also need to develop catalysts that do not require precious metals. As a consequence, recent years have seen a dramatic increase in research aimed at providing the basic understanding needed to develop new and improved catalysts and electrocatalysts for a variety of reactions that involve nanoparticles of late transition metals supported on oxide or carbon materials. It is therefore timely to present a special issue that focusses on Catalytic Properties of Model Supported Nanoparticles. The collection highlights some of the most exciting new directions for research in this area, and providesmore » in depth examples of some of the most cutting-edge methods, both experimental and theoretical, for studying this class of catalysts, which provide insights into structure, mechanisms, kinetics and energetics with unprecedented accuracy and detail. Finally, as Guest Editors, we present below a few of the many excellent papers published in the collection.« less

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]
  1. Univ. of Washington, Seattle, WA (United States)
  2. Barcelona Institute of Science and Technology (BIST), Tarragona (Spain)
  3. Czech Academy of Sciences, Prague (Czech Republic)
Publication Date:
Research Org.:
Univ. of Washington, Seattle, WA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; European Union Horizon 2020 Programme
OSTI Identifier:
1605202
Grant/Contract Number:  
FG02-96ER14630; 810310
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 152; Journal Issue: 14; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; catalytic properties; nanoparticles

Citation Formats

Campbell, Charles T., López, Núria, and Vajda, Stefan. Catalytic properties of model supported nanoparticles. United States: N. p., 2020. Web. doi:10.1063/5.0007579.
Campbell, Charles T., López, Núria, & Vajda, Stefan. Catalytic properties of model supported nanoparticles. United States. doi:https://doi.org/10.1063/5.0007579
Campbell, Charles T., López, Núria, and Vajda, Stefan. Thu . "Catalytic properties of model supported nanoparticles". United States. doi:https://doi.org/10.1063/5.0007579. https://www.osti.gov/servlets/purl/1605202.
@article{osti_1605202,
title = {Catalytic properties of model supported nanoparticles},
author = {Campbell, Charles T. and López, Núria and Vajda, Stefan},
abstractNote = {Nanoparticles of late transition metals are used as catalysts and electrocatalysts for industrial chemical reactions that produce fuels, convert chemical energy to electricity and clean up pollution associated with the generation and use of these fuels. For such applications, metals are usually bonded onto the surfaces of oxide or carbon support materials. To provide the energy needed for sustained economic development, we must develop new and improved solid catalysts and electrocatalysts for a variety of reactions that take better advantage of traditional and alternate energy sources (solar, wind, biomass, etc.) and avoid serious environmental problems. Additionally, since these metals are often expensive and in limited supply (e.g., Pt), we also need to develop catalysts that do not require precious metals. As a consequence, recent years have seen a dramatic increase in research aimed at providing the basic understanding needed to develop new and improved catalysts and electrocatalysts for a variety of reactions that involve nanoparticles of late transition metals supported on oxide or carbon materials. It is therefore timely to present a special issue that focusses on Catalytic Properties of Model Supported Nanoparticles. The collection highlights some of the most exciting new directions for research in this area, and provides in depth examples of some of the most cutting-edge methods, both experimental and theoretical, for studying this class of catalysts, which provide insights into structure, mechanisms, kinetics and energetics with unprecedented accuracy and detail. Finally, as Guest Editors, we present below a few of the many excellent papers published in the collection.},
doi = {10.1063/5.0007579},
journal = {Journal of Chemical Physics},
number = 14,
volume = 152,
place = {United States},
year = {2020},
month = {4}
}

Journal Article:
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Works referenced in this record:

First-principles investigation of electrochemical dissolution of Pt nanoparticles and kinetic simulation
journal, December 2019

  • Zhu, Jing; Hu, Sulei; Zeng, Zhenhua
  • The Journal of Chemical Physics, Vol. 151, Issue 23
  • DOI: 10.1063/1.5129631

Atomic structures and local electronic properties of K- and Rh-modified ceria/Pt(111) inverse model catalysts
journal, November 2019

  • Chen, Haoran; Rong, Wenhui; Huang, Zhichao
  • The Journal of Chemical Physics, Vol. 151, Issue 18
  • DOI: 10.1063/1.5128960

Particle size effect on the Langmuir-Hinshelwood barrier for CO oxidation on regular arrays of Pd clusters supported on ultrathin alumina films
journal, November 2019

  • Sitja, Georges; Tissot, Héloïse; Henry, Claude R.
  • The Journal of Chemical Physics, Vol. 151, Issue 17
  • DOI: 10.1063/1.5125572

Ultrasmall Au clusters supported on pristine and defected CeO 2 : Structure and stability
journal, November 2019

  • Huang, Si-Da; Shang, Cheng; Liu, Zhi-Pan
  • The Journal of Chemical Physics, Vol. 151, Issue 17
  • DOI: 10.1063/1.5126187

Predicting metal–metal interactions. I. The influence of strain on nanoparticle and metal adlayer stabilities
journal, March 2020

  • Streibel, Verena; Choksi, Tej S.; Abild-Pedersen, Frank
  • The Journal of Chemical Physics, Vol. 152, Issue 9
  • DOI: 10.1063/1.5130566

Elucidating the composition of PtAg surface alloys with atomic-scale imaging and spectroscopy
journal, October 2019

  • Patel, Dipna A.; Kress, Paul L.; Cramer, Laura A.
  • The Journal of Chemical Physics, Vol. 151, Issue 16
  • DOI: 10.1063/1.5124687

Predicting metal–metal interactions. II. Accelerating generalized schemes through physical insights
journal, March 2020

  • Choksi, Tej S.; Streibel, Verena; Abild-Pedersen, Frank
  • The Journal of Chemical Physics, Vol. 152, Issue 9
  • DOI: 10.1063/1.5141378

Understanding supported noble metal catalysts using first-principles calculations
journal, November 2019

  • Rice, Peter S.; Hu, P.
  • The Journal of Chemical Physics, Vol. 151, Issue 18
  • DOI: 10.1063/1.5126090

Modification of O and CO binding on Pt nanoparticles due to electronic and structural effects of titania supports
journal, September 2019

  • Ellaby, Tom; Briquet, Ludovic; Sarwar, Misbah
  • The Journal of Chemical Physics, Vol. 151, Issue 11
  • DOI: 10.1063/1.5120571

Mo 6 S 8 -based single-metal-atom catalysts for direct methane to methanol conversion
journal, July 2019

  • Zhang, Hao-Tian; Liu, Cheng; Liu, Ping
  • The Journal of Chemical Physics, Vol. 151, Issue 2
  • DOI: 10.1063/1.5110875

Sn-modification of Pt 7 /alumina model catalysts: Suppression of carbon deposition and enhanced thermal stability
journal, January 2020

  • Li, Guangjing; Zandkarimi, Borna; Cass, Ashley C.
  • The Journal of Chemical Physics, Vol. 152, Issue 2
  • DOI: 10.1063/1.5129686

Charge transfer and spillover phenomena in ceria-supported iridium catalysts: A model study
journal, November 2019

  • Lykhach, Yaroslava; Kubát, Jan; Neitzel, Armin
  • The Journal of Chemical Physics, Vol. 151, Issue 20
  • DOI: 10.1063/1.5126031

Diffusion barriers, growth pathways, and scaling relations for small supported metal clusters
journal, October 2019

  • Mammen, Nisha; Narasimhan, Shobhana
  • The Journal of Chemical Physics, Vol. 151, Issue 14
  • DOI: 10.1063/1.5125063

Mapping XANES spectra on structural descriptors of copper oxide clusters using supervised machine learning
journal, October 2019

  • Liu, Yang; Marcella, Nicholas; Timoshenko, Janis
  • The Journal of Chemical Physics, Vol. 151, Issue 16
  • DOI: 10.1063/1.5126597

Distinct dependence on size of Pt and Rh nanoclusters on graphene/Pt(111) in the decomposition of methanol-d 4
journal, December 2019

  • Ansari, A. S.; Chern, Zhao-Ying; Cai, Pei-Yang
  • The Journal of Chemical Physics, Vol. 151, Issue 22
  • DOI: 10.1063/1.5125464

Strong electrostatic adsorption of Pt onto SiO 2 partially overcoated Al 2 O 3 —Towards single atom catalysts
journal, December 2019

  • Bo, Zhenyu; McCullough, Lauren R.; Dull, Samuel
  • The Journal of Chemical Physics, Vol. 151, Issue 21
  • DOI: 10.1063/1.5128934

Water-gas shift activity on Pt-Re surfaces and the role of the support
journal, December 2019

  • Brandt, Amy J.; Maddumapatabandi, Thathsara D.; Shakya, Deependra M.
  • The Journal of Chemical Physics, Vol. 151, Issue 23
  • DOI: 10.1063/1.5128735

Palladium oxidation leads to methane combustion activity: Effects of particle size and alloying with platinum
journal, October 2019

  • Goodman, Emmett D.; Ye, Angela A.; Aitbekova, Aisulu
  • The Journal of Chemical Physics, Vol. 151, Issue 15
  • DOI: 10.1063/1.5126219

The stability and oxidation of supported atomic-size Cu catalysts in reactive environments
journal, August 2019

  • Iyemperumal, Satish Kumar; Fenton, Thomas G.; Gillingham, Samantha L.
  • The Journal of Chemical Physics, Vol. 151, Issue 5
  • DOI: 10.1063/1.5110300

Hydrogenation of small hydrocarbons on MgO supported Pd nanoparticles: The A-E-model expanded
journal, December 2019

  • Krause, Maximilian; Rötzer, Marian D.; Crampton, Andrew S.
  • The Journal of Chemical Physics, Vol. 151, Issue 24
  • DOI: 10.1063/1.5129571

Pt 8 cluster on alumina under a pressure of hydrogen: Support-dependent reconstruction from first-principles global optimization
journal, November 2019

  • Sun, Geng; Alexandrova, Anastassia N.; Sautet, Philippe
  • The Journal of Chemical Physics, Vol. 151, Issue 19
  • DOI: 10.1063/1.5129296

A kinetic Monte Carlo-blueprint for oxygen reduction on oxide-supported PtNi nanoalloys
journal, January 2020

  • Schmidt, D.; Asara, Gg.; Baletto, F.
  • The Journal of Chemical Physics, Vol. 152, Issue 3
  • DOI: 10.1063/1.5129670

Morphology and chemical behavior of model CsO x /Cu 2 O/Cu(111) nanocatalysts for methanol synthesis: Reaction with CO 2 and H 2
journal, January 2020

  • Hamlyn, Rebecca; Mahapatra, Mausumi; Orozco, Ivan
  • The Journal of Chemical Physics, Vol. 152, Issue 4
  • DOI: 10.1063/1.5129152

Escaping scaling relationships for water dissociation at interfacial sites of zirconia-supported Rh and Pt clusters
journal, October 2019

  • Kauppinen, Minttu M.; Korpelin, Ville; Verma, Anand Mohan
  • The Journal of Chemical Physics, Vol. 151, Issue 16
  • DOI: 10.1063/1.5126261