Applied Energy Materials Group
2020
"A critical examination of compound stability predictions from machine-learned formation energies." npj Computational Materials 6.1 (2020). .
"A Micelle Electrolyte Enabled by Fluorinated Ether Additives for Polysulfide Suppression and Li Metal Stabilization in Li-S Battery." Frontiers in Chemistry 8 (2020). .
"An automatically curated first-principles database of ferroelectrics." Scientific Data 7.1 (2020). .
"Anion Reactivity in Cation‐Disordered Rocksalt Cathode Materials: The Influence of Fluorine Substitution." Advanced Energy Materials 10.35 (2020) 2001500. .
"Aqueous Diels–Alder reactions for thermochemical storage and heat transfer fluids identified using density functional theory." Journal of Computational Chemistry 41.24 (2020) 2137 - 2150. .
"Computational discovery of promising new n-type dopable ABX Zintl thermoelectric materials." Materials Horizons 7.7 (2020) 1809 - 1818. .
"Conformational Entropy as a Means to Control the Behavior of Poly(diketoenamine) Vitrimers In and Out of Equilibrium." Angewandte Chemie International Edition 59.2 (2020) 735 - 739. .
"Defect-Accommodating Intermediates Yield Selective Low-Temperature Synthesis of YMnO 3Polymorphs." Inorganic Chemistry 59.18 (2020) 13639 - 13650. .
"Dissociate lattice oxygen redox reactions from capacity and voltage drops of battery electrodes." Science Advances 6.6 (2020) eaaw3871. .
"Evaluation of Amorphous Oxide Coatings for High-Voltage Li-Ion Battery Applications Using a First-Principles Framework." ACS Applied Materials & Interfaces 12.31 (2020) 35748 - 35756. .
"FeIII chelated organic anode with ultrahigh rate performance and ultra-long cycling stability for lithium-ion batteries." Energy Storage Materials 24 (2020) 432 - 438. .
"From Waste-Heat Recovery to Refrigeration: Compositional Tuning of Magnetocaloric Mn 1+ x Sb." Chemistry of Materials 32.3 (2020) 1243 - 1249. .
"Gradient Polarity Solvent Wash for Separation and Analysis of Electrolyte Decomposition Products on Electrode Surfaces." Journal of The Electrochemical Society 167.2 (2020) 020506. .
"Grain boundary properties of elemental metals." Acta Materialia 186 (2020) 40 - 49. .
"High Thermoelectric Performance and Defect Energetics of Multipocketed Full Heusler Compounds." Physical Review Applied 14.2 (2020). .
"Influence of Charge Cutoff Voltage on the Cycling Behavior of LiNi 0.5Mn0.3Co0.2O2 Cathode." Journal of The Electrochemical Society 167.12 (2020) 120509. .
"Local structure order parameters and site fingerprints for quantification of coordination environment and crystal structure similarity." RSC Advances 10.10 (2020) 6063 - 6081. .
"Machine Learning Chemical Guidelines for Engineering Electronic Structures in Half-Heusler Thermoelectric Materials." Research 2020 (2020) 1 - 8. .
"Negligible voltage hysteresis with strong anionic redox in conventional battery electrode." Nano Energy 74 (2020) 104831. .
"Negligible voltage hysteresis with strong anionic redox in conventional battery electrode." Nano Energy 74 (2020) 104831. .
"Novel Hoberman Sphere Design for Interlaced Mn3O4@CNT Architecture with Atomic Layer Deposition-Coated TiO2 Overlayer as Advanced Anodes in Li-Ion Battery." ACS Applied Materials & Interfaces 12.35 (2020) 39282 - 39292. .
"Novel Hoberman Sphere Design for Interlaced Mn3O4@CNT Architecture with Atomic Layer Deposition-Coated TiO2 Overlayer as Advanced Anodes in Li-Ion Battery." ACS Applied Materials & Interfaces 12.35 (2020) 39282 - 39292. .
"Origin of Disorder Tolerance in Piezoelectric Materials and Design of Polar Systems." Chemistry of Materials 32.7 (2020) 2836 - 2842. .
"Photovoltaic String Sizing Using Site-Specific Modeling." IEEE Journal of Photovoltaics 10.3 (2020) 888 - 897. .