A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals

Wellendorff, Jess; Silbaugh, Trent L.; Garcia-Pintos, Delfina; Nørskov, Jens K.; Bligaard, Thomas; Studt, Felix; Campbell, Charles T.

doi:10.1016/j.susc.2015.03.023

Title: A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals

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Authors:: Wellendorff, Jess; Silbaugh, Trent L.; Garcia-Pintos, Delfina; Nørskov, Jens K.; Bligaard, Thomas; Studt, Felix; Campbell, Charles T.

Publication Date:: Thu Oct 01 00:00:00 EDT 2015

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1244751

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Surface Science

Additional Journal Information:: Journal Name: Surface Science Journal Volume: 640 Journal Issue: C; Journal ID: ISSN 0039-6028

Publisher:: Elsevier

Country of Publication:: Netherlands

Language:: English

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                    Wellendorff, Jess, Silbaugh, Trent L., Garcia-Pintos, Delfina, Nørskov, Jens K., Bligaard, Thomas, Studt, Felix, and Campbell, Charles T. A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals.  Netherlands: N. p., 2015. 
Web.  doi:10.1016/j.susc.2015.03.023.

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                    Wellendorff, Jess, Silbaugh, Trent L., Garcia-Pintos, Delfina, Nørskov, Jens K., Bligaard, Thomas, Studt, Felix, & Campbell, Charles T. A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals.  Netherlands.  https://doi.org/10.1016/j.susc.2015.03.023

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                    Wellendorff, Jess, Silbaugh, Trent L., Garcia-Pintos, Delfina, Nørskov, Jens K., Bligaard, Thomas, Studt, Felix, and Campbell, Charles T. Thu .  
"A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals".  Netherlands.  https://doi.org/10.1016/j.susc.2015.03.023.

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@article{osti_1244751,

  title        = {A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals},

  author       = {Wellendorff, Jess and Silbaugh, Trent L. and Garcia-Pintos, Delfina and Nørskov, Jens K. and Bligaard, Thomas and Studt, Felix and Campbell, Charles T.},

  abstractNote = {},

  doi          = {10.1016/j.susc.2015.03.023},

  journal      = {Surface Science},

  number       = C,

  volume       = 640,

  place        = {Netherlands},

  year         = {Thu Oct 01 00:00:00 EDT 2015},

  month        = {Thu Oct 01 00:00:00 EDT 2015}

}

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