Gerbrand Ceder
Publications
Viewing 19 of 69 publications
2010
Lithium diffusion in graphitic carbon." The Journal of Physical Chemistry Letters 1.8 (2010) 1176–1180.
, , , , , , , , and . "Ab initio screening of metal sorbents for elemental mercury capture in syngas streams." Chemical Engineering Science 65.10 (2010) 3025–3033.
, , , , , and . "Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory." Chemistry of Materials 22 (2010) 3762–3767.
, , , , and . "2012
Improved Capacity Retention for LiVO2 by Cr Substitution." Journal of the Electrochemical Society 160.2 (2012) A279-A284.
, , , , and . "A Computational Investigation of Li9M3(P2O7)3(PO4)2 (M = V, Mo) as Cathodes for Li Ion Batteries." Journal of The Electrochemical Society 159.5 (2012) A622-A633.
, , , , , , , and . "Community Accessible Datastore of High-Throughput Calculations: Experiences from the Materials Project." High Performance Computing, Networking, Storage and Analysis (SCC) 2012. IEEE, 2012. 1244–1251.
, , , , , , , and . "Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability." Physical Review B 85 (2012) 155208–155208.
, , , , and . "Carbonophosphates: A New Family of Cathode Materials for Li-Ion Batteries Identified Computationally." Chemistry of Materials 24 (2012) 2009–2016.
, , , , , , , , , and . "2011
Evaluation of tavorite-structured cathode materials for lithium-ion batteries using high-throughput computing." Chemistry of Materials 23.17 (2011) 3854–3862.
, , , and . "Synthesis and Electrochemical Properties of Monoclinic LiMnBO3 as a Li Intercalation Material." Journal of The Electrochemical Society 158.3 (2011) A309-A309.
, , , , , and . "Formation enthalpies by mixing GGA and GGA+ U calculations." Physical Review B 84.4 (2011).
, , , , , , and . "Data Mined Ionic Substitutions for the Discovery of New Compounds." Inorganic Chemistry 50 (2011) 656–663.
, , , , and . "Novel mixed polyanions lithium-ion battery cathode materials predicted by high-throughput ab initio computations." Journal of Materials Chemistry 21 (2011) 17147–17153.
, , , , , and . "Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput Ab Initio Calculations." Chemistry of Materials 23.15 (2011) 3495–3508.
, , , , , , and . "Recharging lithium battery research with first-principles methods." MRS Bulletin 36.03 (2011) 185–191.
, , , and . "2013
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation." APL Materials 1.1 (2013).
, , , , , , , , , , and . "The Stuff of Dreams." Scientific American 309.6 (2013) 36–40.
, and . "2014
New Light-Harvesting Materials Using Accurate and Efficient Bandgap Calculations." Advanced Energy Materials (2014).
, , , , , , , , , and . "2009
First Principles Study of the Li-BiF Phase Diagram and Bismuth Fluoride Conversion Reactions with Lithium." Electrochemical and Solid State Letters 12.7 (2009) A125-A128.
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