CO₂ Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis

Thumbnail image of item number 1 in: 'CO₂ Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis'.
Thumbnail image of item number 2 in: 'CO₂ Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis'.
Thumbnail image of item number 3 in: 'CO₂ Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis'.
Thumbnail image of item number 4 in: 'CO₂ Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis'.
Showing 1-4 of 8 pages in this article.

PDF Version Also Available for Download.

Description

Article discussing research on CO₂ reduction on transition metal (Fe, Co, Ni, and Cu) surfaces and a comparison with homogeneous catalysis.

Physical Description

8 p.

Creation Information

Liu, Cong; Cundari, Thomas R., 1964- & Wilson, Angela K. February 22, 2012.

Context

This article is part of the collection entitled: UNT Scholarly Works and was provided by the UNT College of Arts and Sciences to the UNT Digital Library, a digital repository hosted by the UNT Libraries. It has been viewed 755 times. More information about this article can be viewed below.

Who

People and organizations associated with either the creation of this article or its content.

Authors

Publisher

Provided By

UNT College of Arts and Sciences

The UNT College of Arts and Sciences educates students in traditional liberal arts, performing arts, sciences, professional, and technical academic programs. In addition to its departments, the college includes academic centers, institutes, programs, and offices providing diverse courses of study.

About | Browse this Partner

Contact Us

Corrections Questions

What

Descriptive information to help identify this article. Follow the links below to find similar items on the Digital Library.

Degree Information

Description

Article discussing research on CO₂ reduction on transition metal (Fe, Co, Ni, and Cu) surfaces and a comparison with homogeneous catalysis.

Physical Description

8 p.

Notes

Reprinted with permission from the Journal of Physical Chemistry C. Copyright 2012 American Chemistry Society.

Abstract: Reduction of CO₂ to CO on Fe, Co, Ni, and Cu surfaces has been studied using density functional theory (DFT) methods. Three reaction steps were studied: (a) adsorption of CO₂ (M + CO₂/M) (M = transition metal surface), (b) decomposition of CO₂ (CO₂/M = (CO + O)/M), and (c) desorption of CO ((CO + O)/M = O/M + CO). Binding energies and reaction energies were calculated using the generalized gradient approximation (GGA) via the Perdew-Burke-Ernzerhof (PBE) functional. Calculations show an interesting trend for reaction energies and total reaction barriers, as a function of metal: from Fe to Cu, reactions tend to be less exergonic; the metals earlier in the 3d series have lower total barriers for CO₂ reduction. However, "overbinding" of CO₂ on Fe causes a thermodynamic sink on the reaction coordinate, and Co and Ni are more favorable in terms of a smaller fluctuation in reaction energies/barriers for these elementary catalytic steps. A Brønsted-Evans-Polanyi (BEP) relationship was analyzed for C-O bond scission of CO₂ on the metal surfaces. Heterogeneous catalysis is also compared with the homogeneous models using transition metal β-diketiminato complexes, showing that both heterogeneous and homogeneous catalysis of CO₂ reduction display the same energetic trend as a function of metal.

Source

  • Journal of Physical Chemistry C, 116(9), American Chemical Society, February 22, 2012, pp. 1-8

Language

Item Type

Identifier

Unique identifying numbers for this article in the Digital Library or other systems.

Publication Information

  • Publication Title: Journal of Physical Chemistry C
  • Volume: 116
  • Issue: 9
  • Page Start: 5681
  • Page End: 5688
  • Peer Reviewed: Yes

Collections

This article is part of the following collection of related materials.

UNT Scholarly Works

Materials from the UNT community's research, creative, and scholarly activities and UNT's Open Access Repository. Access to some items in this collection may be restricted.

About | Browse this Collection

What responsibilities do I have when using this article?

Digital Files

When

Dates and time periods associated with this article.

Creation Date

  • February 22, 2012

Added to The UNT Digital Library

  • Oct. 9, 2012, 10:02 a.m.

Description Last Updated

  • Dec. 11, 2023, 11:25 a.m.

Usage Statistics

When was this article last used?

Yesterday: 0
Past 30 days: 2
Total Uses: 755
More Statistics

Interact With This Article

Here are some suggestions for what to do next.

Start Reading

Thumbnail image of item number 1 in: 'CO₂ Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis'.
Thumbnail image of item number 2 in: 'CO₂ Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis'.
Thumbnail image of item number 3 in: 'CO₂ Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis'.
Thumbnail image of item number 4 in: 'CO₂ Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis'.

PDF Version Also Available for Download.

Citations, Rights, Re-Use

International Image Interoperability Framework

IIF Logo

We support the IIIF Presentation API

Links for Robots

Helpful links in machine-readable formats.

Archival Resource Key (ARK)

International Image Interoperability Framework (IIIF)

Metadata Formats

Images

URLs

Stats

Liu, Cong; Cundari, Thomas R., 1964- & Wilson, Angela K. CO₂ Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis, article, February 22, 2012; [Washington, DC]. (https://digital.library.unt.edu/ark:/67531/metadc107801/: accessed April 24, 2024), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; crediting UNT College of Arts and Sciences.

Back to Top of Screen