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. 2021 Jan 11;7(2):355–364. doi: 10.1021/acscentsci.0c01600

Figure 2.

Figure 2

DFT calculations of adsorption affinities of PS on defective CNTs. Local adsorption configurations and adsorption free energies of PS on pristine CNT surface and different kinds of defects on CNT. C gray, O red, S yellow.