@article {1096, title = {Continuous on-sun solar thermochemical hydrogen production via an isothermal redox cycle}, journal = {Applied Energy}, volume = {249}, year = {2019}, month = {09/2019}, pages = {368-376}, abstract = {

Published in September 2019.

}, issn = {03062619}, doi = {10.1016/j.apenergy.2019.04.169}, url = {https://linkinghub.elsevier.com/retrieve/pii/S0306261919308293}, author = {Amanda L. Hoskins and Samantha L. Millican and Caitlin E. Czernik and Ibraheam Alshankiti and Judy C. Netter and Timothy J. Wendelin and Charles B. Musgrave and Alan W. Weimer} } @article {1078, title = {The role of decomposition reactions in assessing first-principles predictions of solid stability}, journal = {npj Computational Materials}, volume = {5}, year = {2019}, pages = {4}, abstract = {

Published on January 4th, 2019. The performance of density functional theory approximations for predicting materials thermodynamics is typically assessed by comparing calculated and experimentally determined enthalpies of formation from elemental phases, ΔHf. However, a compound competes thermodynamically with both other compounds and their constituent elemental forms, and thus, the enthalpies of the decomposition reactions to these competing phases, ΔHd, determine thermodynamic stability. We evaluated the phase diagrams for 56,791 compounds to classify decomposition reactions into three types: 1. those that produce elemental phases, 2. those that produce compounds, and 3. those that produce both. This analysis shows that the decomposition into elemental forms is rarely the competing reaction that determines compound stability and that approximately two-thirds of decomposition reactions involve no elemental phases. Using experimentally reported formation enthalpies for 1012 solid compounds, we assess the accuracy of the generalized gradient approximation (GGA) (PBE) and meta-GGA (SCAN) density functionals for predicting compound stability. For 646 decomposition reactions that are not trivially the formation reaction, PBE (mean absolute difference between theory and experiment (MAD)\ =\ 70\ meV/atom) and SCAN (MAD\ =\ 59\ meV/atom) perform similarly, and commonly employed correction schemes using fitted elemental reference energies make only a negligible improvement (~2 meV/atom). Furthermore, for 231 reactions involving only compounds (Type 2), the agreement between SCAN, PBE, and experiment is within ~35\ meV/atom and is thus comparable to the magnitude of experimental uncertainty.

}, issn = {2057-3960}, doi = {10.1038/s41524-018-0143-2}, url = {https://www.nature.com/articles/s41524-018-0143-2}, author = {Christopher J. Bartel and Alan W. Weimer and Stephan Lany and Charles B. Musgrave and Aaron M. Holder} } @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 {821, title = {A review and perspective of efficient hydrogen generation via solar thermal water splitting}, journal = {Wiley Interdisciplinary Reviews: Energy and Environment}, volume = {5}, year = {2016}, 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 = {261-287}, abstract = {Published in May 2016.}, issn = {20418396}, doi = {10.1002/wene.174}, url = {http://doi.wiley.com/10.1002/wene.174}, author = {Christopher L. Muhich and Brian D. Ehrhart and Ibraheam Al-Shankiti and Barbara J. Ward and Charles B. Musgrave and Alan W. Weimer} } @article {861, title = {Predicting the solar thermochemical water splitting ability and reaction mechanism of metal oxides: a case study of the hercynite family of water splitting cycles}, journal = {Energy Environ. Sci.}, 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} }, issn = {1754-5692, 1754-5706}, doi = {10.1039/C5EE01979F}, url = {http://xlink.rsc.org/?DOI=C5EE01979F}, author = {Christopher L. Muhich and Brian D. Ehrhart and Vanessa A. Witte and Samantha L. Miller and Eric N. Coker and Charles B. Musgrave and Alan W. Weimer} } @article {933, title = {Kinetics and mechanism of solar-thermochemical H2 production by oxidation of a cobalt ferrite{\textendash}zirconia composite}, journal = {Energy \& Environmental Science}, volume = {6}, 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 = {963}, issn = {1754-5692, 1754-5706}, doi = {10.1039/c3ee23568h}, url = {http://xlink.rsc.org/?DOI=c3ee23568h}, author = {Jonathan R. Scheffe and Anthony H. McDaniel and Mark D. Allendorf and Alan W. Weimer} } @article {815, title = {Atomic layer deposited thin film metal oxides for fuel production in a solar cavity reactor}, journal = {International Journal of Hydrogen Energy}, volume = {37}, year = {2012}, 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 = {16888-16894}, abstract = {Published in November 2012.}, issn = {03603199}, doi = {10.1016/j.ijhydene.2012.08.004}, url = {http://linkinghub.elsevier.com/retrieve/pii/S0360319912017703}, author = {Paul Lichty and Xinhua Liang and Christopher Muhich and Brian Evanko and Carl Bingham and Alan W. Weimer} } @article {898, title = {CoFe2O4 on a Porous Al2O3 Nanostructure for Solar Thermochemical CO2 Splitting}, journal = {Energy \& Environmental Science}, volume = {5}, year = {2012}, 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 = {9438-9444}, issn = {1754-5692, 1754-5706}, doi = {10.1039/c2ee22090c}, url = {http://xlink.rsc.org/?DOI=c2ee22090c}, author = {Darwin Arifin and Victoria J. Aston and Xinhua Liang and Anthony H. McDaniel and Alan W. Weimer} } @article {819, title = {A Spinel Ferrite/Hercynite Water-Splitting Redox Cycle}, journal = {International Journal of Hydrogen Energy}, volume = {35}, year = {2010}, 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 = {3333-3340}, abstract = {Published in April 2010.}, issn = {03603199}, doi = {10.1016/j.ijhydene.2010.01.140}, url = {http://linkinghub.elsevier.com/retrieve/pii/S0360319910002387}, author = {Jonathan R. Scheffe and Jianhua Li and Alan W. Weimer} } @article {964, title = {Extracting kinetic information from complex gas{\textendash}solid reaction data}, journal = {Industrial \& Engineering Chemistry Research}, volume = {54}, 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 = {4113-4122}, issn = {0888-5885, 1520-5045}, doi = {10.1021/ie503894f}, url = {http://pubs.acs.org/doi/abs/10.1021/ie503894f}, author = {Christopher L. Muhich and Kayla C. Weston and Darwin Arifin and Anthony H. McDaniel and Charles B. Musgrave and Alan W. Weimer} } @article {884, title = {Solar-thermal production of renewable hydrogen}, journal = {AIChE Journal}, volume = {55}, 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 = {286-293}, issn = {00011541, 15475905}, doi = {10.1002/aic.11810}, url = {http://doi.wiley.com/10.1002/aic.11810}, author = {Christopher Perkins and Alan W. Weimer} } @article {857, title = {System efficiency for two-step metal oxide solar thermochemical hydrogen production {\textendash} Part 2: Impact of gas heat recuperation and separation temperatures}, journal = {International Journal of Hydrogen Energy}, volume = {41}, 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 = {19881-19893}, issn = {03603199}, doi = {10.1016/j.ijhydene.2016.07.110}, url = {http://linkinghub.elsevier.com/retrieve/pii/S0360319915303542}, author = {Brian D. Ehrhart and Christopher L. Muhich and Ibraheam Al-Shankiti and Alan W. Weimer} } @article {858, title = {System efficiency for two-step metal oxide solar thermochemical hydrogen production {\textendash} Part 3: Various methods for achieving low oxygen partial pressures in the reduction reaction}, journal = {International Journal of Hydrogen Energy}, volume = {41}, 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 = {19881-19893}, issn = {03603199}, doi = {10.1016/j.ijhydene.2016.07.106}, url = {http://linkinghub.elsevier.com/retrieve/pii/S0360319915303542}, author = {Brian D. Ehrhart and Christopher L. Muhich and Ibraheam Al-Shankiti and Alan W. Weimer} } @article {962, title = {System efficiency for two-step metal oxide solar thermochemical hydrogen production {\textendash} Part 1: Thermodynamic model and impact of oxidation kinetics}, journal = {International Journal of Hydrogen Energy}, volume = {41}, 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 = {19881-19893}, issn = {03603199}, doi = {10.1016/j.ijhydene.2016.07.109}, url = {http://linkinghub.elsevier.com/retrieve/pii/S0360319915303542}, author = {Brian D. Ehrhart and Christopher L. Muhich and Ibraheam Al-Shankiti and Alan W. Weimer} }