Fig. 2: Theoretical simulation of Ni vacancy structure. | Nature Communications

Fig. 2: Theoretical simulation of Ni vacancy structure.

From: Photocatalytic ethylene production over defective NiO through lattice oxygen participation

Fig. 2: Theoretical simulation of Ni vacancy structure.The alternative text for this image may have been generated using AI.

a Local atomic configuration of NiO (110) model without (top) and with (bottom) a Ni vacancy. b PCF of v-NiO at different temperature ranges. c and (d) The phonon spectra of (c) v-NiO and (d) pure NiO. e Calculated band structure of v-NiO. f The PDOS of v-NiO. Source data are provided as a Source Data file.

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