@article {1074, title = {New tolerance factor to predict the stability of perovskite oxides and halides}, journal = {Science Advances}, volume = {5}, year = {2019}, note = {

Copyright {\textcopyright} 2019 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution License 4.0 (CC BY).. This is an open-access article distributed under the terms of the Creative Commons Attribution license, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

}, month = {02/2019}, pages = {eaav0693}, abstract = {

Published on February 1st, 2019. Predicting the stability of the perovskite structure remains a long-standing challenge for the discovery of new functional materials for many applications including photovoltaics and electrocatalysts. We developed an accurate, physically interpretable, and one-dimensional tolerance factor, τ, that correctly predicts 92\% of compounds as perovskite or nonperovskite for an experimental dataset of 576 ABX3 materials (X = O2-, F-, Cl-, Br-, I-) using a novel data analytics approach based on SISSO (sure independence screening and sparsifying operator). τ is shown to generalize outside the training set for 1034 experimentally realized single and double perovskites (91\% accuracy) and is applied to identify 23,314 new double perovskites (A2BB'X6) ranked by their probability of being stable as perovskite. This work guides experimentalists and theorists toward which perovskites are most likely to be successfully synthesized and demonstrates an approach to descriptor identification that can be extended to arbitrary applications beyond perovskite stability predictions. Simple and interpretable data-driven descriptor accurately predicts the synthesizability of single and double perovskites.

}, issn = {2375-2548}, doi = {10.1126/sciadv.aav0693}, url = {https://advances.sciencemag.org/content/5/2/eaav0693}, author = {Christopher J. Bartel and Christopher Sutton and Bryan R. Goldsmith and Runhai Ouyang and Charles B. Musgrave and Luca M. Ghiringhelli and Matthias Scheffler} } @article {823, title = {A novel CeO2{\textendash}xSnO2/Ce2Sn2O7 pyrochlore cycle for enhanced solar thermochemical water splitting}, journal = {AIChE Journal}, volume = {63}, year = {2017}, note = {{\textquoteright}doi: 10.1021/acsenergylett.0c01132\n - I.Am.Hydrogen{\textquoteright} {\textquoteright}\n - jyoungstrom{\textquoteright} {\textquoteright}Jason thinks this is great.\n~\n - jyoungstrom{\textquoteright} {\textquoteright}\n - estechel{\textquoteright} }, pages = {3450-3462}, abstract = {Published in August 2017.}, issn = {00011541}, doi = {10.1002/aic.15701}, url = {http://doi.wiley.com/10.1002/aic.15701}, author = {Chongyan Ruan and Yuan Tan and Lin Li and Junhu Wang and Xiaoyan Liu and Xiaodong Wang} } @article {856, title = {A new solar fuels reactor concept based on a liquid metal heat transfer fluid: Reactor design and efficiency estimation}, journal = {Solar Energy}, volume = {122}, year = {2015}, note = {{\textquoteright}doi: 10.1021/acsenergylett.0c01132\n - I.Am.Hydrogen{\textquoteright} {\textquoteright}\n - jyoungstrom{\textquoteright} {\textquoteright}Jason thinks this is great.\n~\n - jyoungstrom{\textquoteright} {\textquoteright}\n - estechel{\textquoteright} }, pages = {547-561}, abstract = {Published in December 2015.}, issn = {0038092X}, doi = {10.1016/j.solener.2015.08.019}, url = {http://linkinghub.elsevier.com/retrieve/pii/S0038092X15004557}, author = {Cansheng Yuan and Colby Jarrett and William Chueh and Yoshiaki Kawajiri and Asegun Henry} } @article {852, title = {Noteworthy performance of La1-xCaxMnO3 perovskites in generating H2 and CO by the thermochemical splitting of H2O and CO2}, journal = {Phys. Chem. Chem. Phys.}, volume = {17}, year = {2015}, note = {{\textquoteright}doi: 10.1021/acsenergylett.0c01132\n - I.Am.Hydrogen{\textquoteright} {\textquoteright}\n - jyoungstrom{\textquoteright} {\textquoteright}Jason thinks this is great.\n~\n - jyoungstrom{\textquoteright} {\textquoteright}\n - estechel{\textquoteright} }, pages = {122-125}, issn = {1463-9076, 1463-9084}, doi = {10.1039/C4CP04578E}, url = {http://xlink.rsc.org/?DOI=C4CP04578E}, author = {Sunita Dey and B. S. Naidu and A. Govindaraj and C. N. R. Rao} } @article {941, title = {Nonstoichiometric perovskite oxides for solar thermochemical H2 and CO production}, journal = {Energy Procedia}, volume = {49}, year = {2014}, note = {{\textquoteright}doi: 10.1021/acsenergylett.0c01132\n - I.Am.Hydrogen{\textquoteright} {\textquoteright}\n - jyoungstrom{\textquoteright} {\textquoteright}Jason thinks this is great.\n~\n - jyoungstrom{\textquoteright} {\textquoteright}\n - estechel{\textquoteright} }, pages = {2009-2018}, issn = {18766102}, doi = {10.1016/j.egypro.2014.03.213}, url = {http://linkinghub.elsevier.com/retrieve/pii/S1876610214006675}, author = {A.H. McDaniel and A. Ambrosini and E.N. Coker and J.E. Miller and W.C. Chueh and R. O{\textquoteright}Hayre and J. Tong} } @article {924, title = {A new reactor concept for efficient solar-thermochemical fuel production}, journal = {Journal of Solar Energy Engineering}, volume = {135}, year = {2013}, note = {{\textquoteright}doi: 10.1021/acsenergylett.0c01132\n - I.Am.Hydrogen{\textquoteright} {\textquoteright}\n - jyoungstrom{\textquoteright} {\textquoteright}Jason thinks this is great.\n~\n - jyoungstrom{\textquoteright} {\textquoteright}\n - estechel{\textquoteright} }, pages = {031002}, issn = {01996231}, doi = {10.1115/1.4023356}, url = {http://link.aip.org/link/JSEEDO/v135/i3/p031002/s1\&Agg=doi}, author = {Ivan Ermanoski and Nathan P. Siegel and Ellen B. Stechel} } @article {791, title = {Novel rare-earth-containing manganites Ba4REMn3O12 (RE=Ce, Pr) with 12R structure}, journal = {Journal of Solid State Chemistry}, volume = {177}, note = {{\textquoteright}doi: 10.1021/acsenergylett.0c01132\n - I.Am.Hydrogen{\textquoteright} {\textquoteright}\n - jyoungstrom{\textquoteright} {\textquoteright}Jason thinks this is great.\n~\n - jyoungstrom{\textquoteright} {\textquoteright}\n - estechel{\textquoteright} }, pages = {714-720}, issn = {00224596}, doi = {10.1016/j.jssc.2003.08.025}, url = {http://linkinghub.elsevier.com/retrieve/pii/S002245960300505X}, author = {Antonio F Fuentes and Khalid Boulahya and Ulises Amador} }