The substitutional and interstitial Mn doped CsPbI2Br are intermediate band and n-type semiconductors, respectively.

The electronic structure, energy barrier and charge redistribution of cyclo[18]carbon and cyclocarbon oxides [Formula: see text], [Formula: see text], [Formula: see text] on NaCl(001) surface were computationally studied by using MOPAC. The HOMO electronics are mainly distributed at the inner and outer circumferential half circle of the cyclo[18]carbon along triple C–C bonds. However, the LUMO electronics are distributed at above and below surfaces of the cyclo[18]carbon circle along single C–C bonds. The energy barrier is different along different direction. The energy barrier of cyclo[18]carbon on the NaCl surface is the smallest (0.23 eV/per atom). When the cyclo[18]carbon and cyclo[18]carbon oxides molecular are put on the NaCl surface, they show different amounts of positive charge, no longer neutral.

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