TY - JOUR
T1 - Erratum
T2 - Inorganic Halide Double Perovskites with Optoelectronic Properties Modulated by Sublattice Mixing (Journal of the American Chemical Society (2020) 142:11 (5135-5145) DOI: 10.1021/jacs.9b12440)
AU - Bartel, Christopher J.
AU - Clary, Jacob M.
AU - Sutton, Christopher
AU - Vigil-Fowler, Derek
AU - Goldsmith, Bryan R.
AU - Holder, Aaron M.
AU - Musgrave, Charles B.
N1 - Publisher Copyright:
© 2020 American Chemical Society.
PY - 2020/10/7
Y1 - 2020/10/7
N2 - We recently noticed two errors that have led to an addition and correction to J. Am. Chem. Soc. 2020, 142 (11), 5135-5145, DOI: 10.1021/jacs.9b12440. An error in the application of perovskite probabilities, P(τ), used to select the set of compounds for evaluation artificially excluded 51 compounds from further evaluation. These compounds have now been evaluated in the same manner as the original 311. A second error in data processing led to the exclusion of potential competing phases in the Cs-B-B′-Cl chemical spaces used to compute the stability (ΔHd) of each compound. The stabilities of affected compounds have been recomputed considering these additional competing phases. The conclusions published in the original manuscript are unchanged, and the addition of 51 compounds to the data set further emphasizes the potential for new materials discovery in this chemical space with the number of materials predicted to be nontoxic and (meta)stable and have desirable band gaps for optoelectronic applications increasing from 47 in the originally published version to 55 with the Addition and Correction. Revised versions of Figure 2, Table S1, an interactive version of Figure 2 (in the SI), and a downloadable version of Table S1 (in the SI) are provided here. These figures and tables contain the calculated stabilities and band gaps of all 362 compounds. (Figure Presented).
AB - We recently noticed two errors that have led to an addition and correction to J. Am. Chem. Soc. 2020, 142 (11), 5135-5145, DOI: 10.1021/jacs.9b12440. An error in the application of perovskite probabilities, P(τ), used to select the set of compounds for evaluation artificially excluded 51 compounds from further evaluation. These compounds have now been evaluated in the same manner as the original 311. A second error in data processing led to the exclusion of potential competing phases in the Cs-B-B′-Cl chemical spaces used to compute the stability (ΔHd) of each compound. The stabilities of affected compounds have been recomputed considering these additional competing phases. The conclusions published in the original manuscript are unchanged, and the addition of 51 compounds to the data set further emphasizes the potential for new materials discovery in this chemical space with the number of materials predicted to be nontoxic and (meta)stable and have desirable band gaps for optoelectronic applications increasing from 47 in the originally published version to 55 with the Addition and Correction. Revised versions of Figure 2, Table S1, an interactive version of Figure 2 (in the SI), and a downloadable version of Table S1 (in the SI) are provided here. These figures and tables contain the calculated stabilities and band gaps of all 362 compounds. (Figure Presented).
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U2 - 10.1021/jacs.0c08740
DO - 10.1021/jacs.0c08740
M3 - Comment/debate
C2 - 32961054
AN - SCOPUS:85092300900
SN - 0002-7863
VL - 142
SP - 17206
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
IS - 40
ER -