Geometric structure of anatase tio (101)

HIGHLIGHTS

• who: Jon P. W. Treacy et al. from the School The University Manchester , PL, United Kingdom have published the paper: Geometric structure of anatase TiO (101), in the Journal: (JOURNAL) of 14/02/2017
• what: DFT calculations carried out as part of this paper provide a much better agreement through improved accuracy and thicker slab models. The authors provide a fully quantitative surface structural determination of a-TiO2 using surface x-ray_diffraction (SXRD) and compare the results with density functional theory (DFT) calculations.
• future: This structure determination will support future work in achieving . . .
  

   

  

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