“…The transformed Cu–O bond is shortened after calcination. , The shortened Cu–O bond inevitably induces electronic reconfiguration in the Cu–O combo and causes slight enhancement of the electronic density of Cu 2+ species (to generate Cu (2−δ)+ sites); thus, binding energies for Cu–O and Cu–OH exhibit strong red shifts. More importantly, the shortened Cu–O bond in the thermally annealed sample will also facilitate electronic reconfiguration promoted by the Jahn–Teller effect (inset of Figure a). − The tetrahedral nature of CuO crystals undergoes field energy splitting, and d π orbitals, namely d xy , d xz , and d yz , will be elevated from d x 2 – y 2 and d z 2 (d σ orbital), as generally accepted for field energy theory . However, the shortened Cu–O bond, predominantly caused by material surface restructuring during −OH removal, contributes further to the orbital split of d x 2 – y 2 and d z 2 , leading d z 2 close to the three d π orbitals.…”