Skip to main content
SpringerLink
Log in

Steam Reforming of Formaldehyde on Cu(100) Surface: A Density Functional Study

  • Published:
Catalysis Letters Aims and scope Submit manuscript

Abstract

In this work we have systemically characterized the adsorption complexes of formaldehyde and its reaction intermediates to CO2 formation on the Cu(100) surface using periodic DFT method. We found that formaldehyde reaction with surface O is thermodynamically more favorable compared with the reaction path of formaldehyde with OH.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2

Similar content being viewed by others

References

  1. Ross DK (2006) Vacuum 80:1084

    Article  CAS  Google Scholar 

  2. Holladay JD, Wang Y, Jones E (2004) Chem Revs 104:4767

    Article  CAS  Google Scholar 

  3. Ha S, Larsen R, Masel RI (2005) J Power Sources 144:28

    Article  CAS  Google Scholar 

  4. Chen Z-X, Neyman KM, Lim KH, Roesch N (2004) Langmuir 20:8068

    Article  CAS  Google Scholar 

  5. Neyman KM, Lim KH, Chen Z-X, Moskaleva LV, Bayer A, Reindl A, Borgmann D, Denecke R, Steinrück HP, Rösch N (2007) Phys Chem Chem Phys 9:3470

    Article  CAS  Google Scholar 

  6. Trimm DL, Önsan ZI (2001) Catal Rev 43:31

    Article  CAS  Google Scholar 

  7. Foo ASY, Lim KH (2008) Catal Lett. doi:10.1007/s10562-008-9653-8

    Google Scholar 

  8. Lim KH, Moskaleva LV, Rösch N (2006) Chem Phys Chem 7:1802

    CAS  Google Scholar 

  9. Lim KH, Chen Z-X, Neyman KM, Rösch N (2006) J Phys Chem B 110:14890

    Article  CAS  Google Scholar 

  10. Iwasa N, Takezawa N (2003) Top Catal 22:215

    Article  CAS  Google Scholar 

  11. Kresse G, Furthmüller J (1996) Phys Rev B 54:11169

    Article  CAS  Google Scholar 

  12. Kresse G, Hafner J (1996) Phys Rev B 47:104205

    Google Scholar 

  13. Kresse G, Furthmüller J (1999) Comp Mat Sci 6:15

    Article  Google Scholar 

  14. Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 77:3865

    Article  CAS  Google Scholar 

  15. Blöchl PE (1994) Phys Rev B 50:17953

    Article  Google Scholar 

  16. Kresse G, Joubert D (1999) Phys Rev B 59:1758

    Article  CAS  Google Scholar 

  17. Monkhorst HJ, Pack JD (1976) Phys Rev B 13:5188

    Article  Google Scholar 

  18. Methfessel M, Paxton AT (1989) Phys Rev B 40:3616

    Article  CAS  Google Scholar 

  19. Somorjai GA (1994) Introduction to surface chemistry and catalysis. Wiley, New York

    Google Scholar 

  20. Gomes JRB, Gomes JANF (2001) Surf Sci 471:59

    Article  CAS  Google Scholar 

  21. Chao Y, Chen Z-X (2006) Surf Sci 600:4572

    Article  Google Scholar 

  22. Pettersson LGM, Agren H, Vahtras O, Carravetta V (1995) J Chem Phys 103:8713

    Article  CAS  Google Scholar 

  23. Gomes JRB, Gomes JANF, Illas F (1999) Surf. Sci. 443:165

    Article  CAS  Google Scholar 

  24. Rasmussen PB, Taylor PA, Chorkendorff I (1992) Surf. Sci. 269–270:352

    Article  Google Scholar 

  25. Krause J, Borgmann D, Wedler G (1996) Surf. Sci 347:1

    Article  CAS  Google Scholar 

  26. Yue CMY, Lim KH (2008) Catal Lett. doi:10.1007/s10562-008-9741-9

    Google Scholar 

  27. Gomes JRB, Gomes JANF (1999) Surf. Sci. 432:279

    Article  CAS  Google Scholar 

  28. Woodruff DP et al (1988) Surf Sci 201:275

    Article  Google Scholar 

  29. Stohr J, Outka DA, Madix RJ, Dobler U (1985) Phys Rev Letts 54:1256

    Article  Google Scholar 

  30. Outka D, Madix RJ, Stohr J (1985) Surf Sci 164:235

    Article  CAS  Google Scholar 

  31. Gomes JRB, Gomes JANF (2000) Surf Sci 446:283

    Article  CAS  Google Scholar 

  32. Gomes JRB, Gomes JANF (1999) Electrochemica Acta 45:653

    Article  CAS  Google Scholar 

  33. Ying DHS, Madix RJ (1980) J Catal 61:48

    Article  CAS  Google Scholar 

  34. Bowker M, Rowbotham E, Leibsle FM, Haq S (1996) Surf Sci 349:97

    Article  CAS  Google Scholar 

  35. Bowker M, Madix RJ (1981) Surf Sci 102:542

    Article  CAS  Google Scholar 

  36. Clarke DB, Lee DK, Sandoval MJ, Bell AT (1994) J Catal 150:81

    Article  CAS  Google Scholar 

  37. Wachs IE, Madix RJ (1979) Surf Sci 84:375

    Article  CAS  Google Scholar 

  38. Barteau MA, Bowker M, Madix MJ (1980) Surf Sci 94:303

    Article  CAS  Google Scholar 

Download references

Acknowledgments

J. Bo and S. Zhang acknowledge support from SCBE FYP’s project. This work was supported by NTU’s grants SUG 43/06 and M58120000.

Author information

Authors and Affiliations

  1. Division of Chemical and Biomolecular Engineering, School of Chemical and Biomedical Engineering, Nanyang Technological University, 62 Nanyang Drive, Jalan Bahar, 637459, Singapore

    Ju-Yi Bo, Shurui Zhang & Kok Hwa Lim

Authors
  1. Ju-Yi Bo
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Shurui Zhang
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Kok Hwa Lim
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Kok Hwa Lim.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Bo, JY., Zhang, S. & Lim, K.H. Steam Reforming of Formaldehyde on Cu(100) Surface: A Density Functional Study. Catal Lett 129, 444–448 (2009). https://doi.org/10.1007/s10562-008-9821-x

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10562-008-9821-x

Keywords

Search

Navigation