Energy Storage and Distributed Resources Division
Ab initio study of the composition dependence of the pressure-induced spin transition in the (Mg1-x,Fex)O system." Geophysical Research Letters 33 (2006).
, , , and . "Charting the complete elastic properties of inorganic crystalline compounds." Scientific Data 2 (2015).
, , , , , , , , , , , , , , and . "Spin transitions in the FexMn1-xS2 system." Physical Review B 73 (2006).
, , and . "A high-throughput infrastructure for density functional theory calculations." Computational Materials Science 50 (2011) 2295–2310.
, , , , , , , and . "Spinel compounds as multivalent battery cathodes: a systematic evaluation based on ab initio calculations." Energy & Environmental Science 8 (2015) 964–974.
, , , , , , and . "The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles." Computational Materials Science 97 (2015) 209–215.
, , , , , , and . "The Electrolyte Genome project: A big data approach in battery materials discovery." Computational Materials Science 103 (2015) 56–67.
, , , , , , , , , and . "First-principles study of electronic structure and photocatalytic properties of MnNiO3 as an alkaline oxygen-evolution photocatalyst." Chemical Communications 51 (2015) 2867–2870.
, , , , , and . "Ab initio study of the composition dependence of the pressure-induced spin crossover in perovskite (Mg1-x,Fex)SiO3." Earth and Planetary Science Letters 265 (2008) 535–545.
, , and . "Structural, magnetic, and optical properties of BiFeO3 and Bi2FeMnO6 epitaxial thin films: An experimental and first-principles study." Physical Review B 78 (2008) 104106.
, , , , , , , , and . "Effect of surface microstructure on electrochemical performance of garnet solid electrolytes." ACS Appl Mater Interfaces 7 (2015) 2073–81.
, , , , , , and . "Predicting Crystal Structures with Data Mining of Quantum Calculations." Physical Review Letters 91 (2003).
, , , , and . "PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds." Computer Physics Communications 193 (2015) 118–123.
, , , , , and . "A Systematic Investigation of Polymer Binder Flexibility on the Electrode Performance of Lithium-Ion Batteries." ACS Applied Materials & Interfaces 6 (2014) 17111–17118.
, , , , , , , , and . "Toward practical application of functional conductive polymer binder for a high-energy lithium-ion battery design." Nano Letters 14 (2014) 6704–6710.
, , , , , , , , , , , , , , and . "Hierarchical electrode design of high-capacity alloy nanomaterials for lithium-ion batteries." Nano Today 10 (2015) 193–212.
, , and . "Synthesis, structure, and ionic conductivity of self-assembled amphiphilic poly(methacrylate) comb polymers." Macromolecules 39 (2006) 4726–4734.
, , , and . "Nanoscale lithium ion conducting polyethylene oxide with self-attached insulating layers." Solid State Ionics 175 (2004) 721–724.
, , and . "Sb-Cu-Li electrochromic mirrors." Solar Energy Materials and Solar Cells 86 (2005) 113–121.
, and . "Rational Design and Facial Synthesis of Li3V2(PO4)3@C Nanocomposites Using Carbon with Different Dimensions for Ultrahigh-Rate Lithium-Ion Batteries." ACS Applied Materials & Interfaces 7 (2015) 12057–12066.
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