Figure 4
From: Understanding the effects of Cr doping in rutile TiO2 by DFT calculations and X-ray spectroscopy
(a) Spin polarized (s+, s−) total DOS and pDOS corresponding to O(2p), Ti(3d) and Cr(3d) states for CrTi1− and CrTi0 defects, and (b) DOS contributions from CrO6 and TiO6 (dashed) octahedra.
