Simulated x-ray absorption spectra calculated with the FEFF code for various models of Cu incorporated into the iron oxide mineral hematite. The structures are drawn from publically available ab initio molecular dynamics simulations.

Prange, Micah P; Howard, Amanda A

doi:10.25584/2481466

Title: Simulated x-ray absorption spectra calculated with the FEFF code for various models of Cu incorporated into the iron oxide mineral hematite. The structures are drawn from publically available ab initio molecular dynamics simulations.

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Abstract

FEFF simulations of Cu doped hematite.

Authors:

;

PNNL

Publication Date:: Fri Sep 01 00:00:00 EDT 2023

DOE Contract Number:: AC05-76RL01830

Research Org.:: Pacific Northwest National Laboratory 2

Sponsoring Org.:: DOE

OSTI Identifier:: 2481466

DOI:: https://doi.org/10.25584/2481466

Citation Formats


                    Prange, Micah P, and Howard, Amanda A. Simulated x-ray absorption spectra calculated with the FEFF code for various models of Cu incorporated into the iron oxide mineral hematite. The structures are drawn from publically available ab initio molecular dynamics simulations..  United States: N. p., 2023. 
        Web.  doi:10.25584/2481466.

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                    Prange, Micah P, & Howard, Amanda A. Simulated x-ray absorption spectra calculated with the FEFF code for various models of Cu incorporated into the iron oxide mineral hematite. The structures are drawn from publically available ab initio molecular dynamics simulations..  United States.  doi:https://doi.org/10.25584/2481466

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                    Prange, Micah P, and Howard, Amanda A. 2023.  
"Simulated x-ray absorption spectra calculated with the FEFF code for various models of Cu incorporated into the iron oxide mineral hematite. The structures are drawn from publically available ab initio molecular dynamics simulations.".  United States.  doi:https://doi.org/10.25584/2481466.  https://www.osti.gov/servlets/purl/2481466. Pub date:Fri Sep 01 00:00:00 EDT 2023

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@article{osti_2481466,

  title        = {Simulated x-ray absorption spectra calculated with the FEFF code for various models of Cu incorporated into the iron oxide mineral hematite. The structures are drawn from publically available ab initio molecular dynamics simulations.},

  author       = {Prange, Micah P and Howard, Amanda A},

  abstractNote = {FEFF simulations of Cu doped hematite.},

  doi          = {10.25584/2481466},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Sep 01 00:00:00 EDT 2023},

  month        = {Fri Sep 01 00:00:00 EDT 2023}

}

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DOI: https://doi.org/10.25584/2481466

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