Table 2 Six selected HOIPs with relevant statistics
From: Accelerated discovery of stable lead-free hybrid organic-inorganic perovskites via machine learning
HOIPs | T f | O f | EMLg(eV) | EgPBE(eV) | \(\Delta{{E}_{{\bf{H}}_{\bf 2 }\bf{O}}}_{\bf ads}\)(\({\bf eV}\)) | \(\Delta{{E}_{{\bf{O}}_{\bf 2}}}_{\bf{ads}}\)(\({\bf eV}\)) |
|---|---|---|---|---|---|---|
C2H5OInBr3 | 1.04 | 0.50 | 0.90 | 0.91 | −0.301 | −0.071 |
C2H6NInBr3 | 1.04 | 0.50 | 0.97 | 1.07 | −0.630 | −0.152 |
NH3NH2InBr3 | 0.99 | 0.50 | 1.06 | 1.09 | −0.497 | −0.110 |
C2H5OSnBr3 | 0.99 | 0.57 | 1.10 | 1.05 | −0.163 | −0.071 |
NH4InBr3 | 0.82 | 0.50 | 1.18 | 1.13 | −0.566 | −0.090 |
C2H6NSnBr3 | 0.99 | 0.57 | 1.22 | 1.14 | −0.134 | −0.093 |
