Fig. 3: Spin polarization improving the molecular orbital activation in ·O2– formation. | Nature Communications

Fig. 3: Spin polarization improving the molecular orbital activation in ·O2– formation.

From: Spin polarization induced by atomic strain of MBene promotes the ·O2– production for groundwater disinfection

Fig. 3

a EPR spectra of IS/MB-20 in an Ar/Air atmosphere under light irradiation. b Spin charge density of IS/MB-perfect-O2 and IS/MB-12%-O2 configuration. c The molecular orbital energy and spin electron distribution diagram for O2 and zero spin states O2. d Schematic diagram of spin electron transfer from FMOs of IS/MB to π* orbitals of O2.

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