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. 2014 Jul 11;5:1016–1030. doi: 10.3762/bjnano.5.115

Figure 7.

Figure 7

Simulated UV–vis absorption spectra of the pollutants bound to the TiO2 cluster, calculated by TD-DFT in water. The spectral lines were convoluted with Gaussian distributions of 20 nm linewidth at half maximum.