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N2 adsorption and activation. a) Electronic configuration of Te4+ and TeO2. b) Activation of N2 using TeO2 through backbonding interactions. Path I: π‐backdonation to N2 molecule in an end‐on manner. Path II: π‐backdonating in side‐on manner. c) Adsorption and activation of N2 molecules on TeO2 after elongating Te‐Oax bond via bonding and backbonding interactions. d) Schematic band diagrams of TeO2 after introduction of Se.
