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. 2024 Sep 19;9(10):4947–4952. doi: 10.1021/acsenergylett.4c01638

Figure 2.

Figure 2

Principal component analysis of the nitrogen reduction feature space: formation energies (ΔH), binding energies (ΔE), and the standard reduction potential (VSHE) for (a) DFT energies and (b) including data with linear regression predicted values noted by star points. “Cleave phase” means that the material forms a nitride phase with isolated nitrogen atoms. Data are shown in Tables S1 and S2.