Energy Storage and Distributed Resources Division
Combining theory and experiment in lithium–sulfur batteries: Current progress and future perspectives." Materials Today 22 (2018) 142–158.
, , , and . "High-throughput density-functional perturbation theory phonons for inorganic materials." Scientific Data 5 (2018) 180065.
, , , , , , , , , and . "Matminer: An open source toolkit for materials data mining." Computational Materials Science 152 (2018) 60–69.
, , , , , , , , , , , , , , , and . "Accelerating the discovery of materials for clean energy in the era of smart automation." Nature Reviews Materials 3.5 (2018) 5–20.
, , , , , , , , , , , , , , and . "Theory‐Guided Synthesis of a Metastable Lead‐Free Piezoelectric Polymorph." Advanced Materials 30.25 (2018) 1800559.
, , , , , , , , , , , , , and . "Elucidating Solvation Structures for Rational Design of Multivalent Electrolytes—A Review." Topics in Current Chemistry 376.3 (2018).
, , , , and . "Thermodynamic limit for synthesis of metastable inorganic materials." Science Advances 4.4 (2018) eaaq0148.
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Automated generation and ensemble-learned matching of X-ray absorption spectra." npj Computational Materials 4.1 (2018).
, , , , , , , , , , , and . "Efficient Discovery of Optimal N -Layered TMDC Hetero-StructuresABSTRACT." MRS Advances 3.6-7 (2018) 397–402.
, , , , , , , , , , and . "The Interplay between Salt Association and the Dielectric Properties of Low Permittivity Electrolytes: The Case of LiPF 6 and LiAsF 6 in Dimethyl Carbonate." The Journal of Physical Chemistry C 122.4 (2018) 1990–1994.
, , , and . "Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models." The Journal of Physical Chemistry Letters 9.3 (2018) 628–634.
, , , , , , and . "Oxidation Protection with Amorphous Surface Oxides: Thermodynamic Insights from Ab Initio Simulations on Aluminum." ACS Applied Materials & Interfaces 10.3 (2018) 3039–3045.
, and . "Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode." Chemistry of Materials 29.23 (2017) 10027–10036.
, , , , , , , , , , , , and . "Electrochemical Stability of Metastable Materials." Chemistry of Materials 29.23 (2017) 10159–10167.
, , , , , , , and . "Non-encapsulation approach for high-performance Li–S batteries through controlled nucleation and growth." Nature Energy 2.10 (2017) 813–820.
, , , , , , , , , , , , , and . "Effects of Anion Mobility on Electrochemical Behaviors of Lithium–Sulfur Batteries." Chemistry of Materials 29.21 (2017) 9023–9029.
, , , , , , , , , , and . "Discovery of Manganese-Based Solar Fuel Photoanodes via Integration of Electronic Structure Calculations, Pourbaix Stability Modeling, and High-Throughput Experiments." ACS Energy Letters 2.10 (2017) 2307–2312.
, , , , , , , , and . "Computational prediction of new auxetic materials." Nature Communications 8.1 (2017).
, , , and . "Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows." Computational Materials Science 139 (2017) 140–152.
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