@article {1076, title = {Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry}, journal = {Nature Communications}, volume = {9}, year = {2018}, month = {10/2018}, pages = {4168}, issn = {2041-1723}, doi = {10.1038/s41467-018-06682-4}, url = {https://www.nature.com/articles/s41467-018-06682-4}, author = {Christopher J. Bartel and Samantha L. Millican and Ann M. Deml and John R. Rumptz and William Tumas and Alan W. Weimer and Stephan Lany and Vladan Stevanovi{\'c} and Charles B. Musgrave and Aaron M. Holder} } @article {939, title = {Oxide enthalpy of formation and band gap energy as accurate descriptors of oxygen vacancy formation energetics}, journal = {Energy \& Environmental Science}, volume = {7}, 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 = {1996}, issn = {1754-5692, 1754-5706}, doi = {10.1039/c3ee43874k}, url = {http://xlink.rsc.org/?DOI=c3ee43874k}, author = {Ann M. Deml and Vladan Stevanovi{\'c} and Christopher L. Muhich and Charles B. Musgrave and Ryan O{\textquoteright}Hayre} } @article {847, title = {Intrinsic material properties dictating oxygen vacancy formation energetics in metal oxides}, journal = {The Journal of Physical Chemistry Letters}, volume = {6}, 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 = {1948-1953}, abstract = {*The authors use first-principles calculations to explore the relationship between the energy required to form an oxygen vacancy and intrinsic bulk material properties. They derive a simple model that predicts vacancy formation energy at substantially reduced computational cost which may facilitate high throughput computational screening of STC materials.}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.5b00710}, url = {http://pubs.acs.org/doi/abs/10.1021/acs.jpclett.5b00710}, author = {Ann M. Deml and Aaron M. Holder and Ryan P. O{\textquoteright}Hayre and Charles B. Musgrave and Vladan Stevanovi{\'c}} } @article {938, title = {Tunable oxygen vacancy formation energetics in the complex perovskite oxide SrxLa1{\textendash}xMnyAl1{\textendash}yO3}, journal = {Chemistry of Materials}, volume = {26}, 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 = {6595-6602}, issn = {0897-4756, 1520-5002}, doi = {10.1021/cm5033755}, url = {http://pubs.acs.org/doi/abs/10.1021/cm5033755}, author = {Ann M. Deml and Vladan Stevanovi{\'c} and Aaron M. Holder and Michael Sanders and Ryan O{\textquoteright}Hayre and Charles B. Musgrave} }