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The Energy Storage and Distributed Resources Division (ESDR) works on developing advanced batteries and fuel cells for transportation and stationary energy storage, grid-connected technologies for a cleaner, more reliable, resilient, and cost-effective future, and demand responsive and distributed energy technologies for a dynamic electric grid.
Research +
We work closely with academic, government and industry partners to conduct foundational and applied research that provides the groundwork for the development of transformative new energy technologies in the areas of energy storage and conversion, electrical grid, advanced materials for the energy infrastructure, science of manufacturing and water-energy nexus.

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Publications

Publications by Category

2011

Jain, Anubhav, Geoffroy Hautier, Charles J. Moore, Shyue P. Ong, Christopher C. Fischer, Tim Mueller, Kristin A. Persson, and Gerbrand Ceder."A high-throughput infrastructure for density functional theory calculations."Computational Materials Science 50 (2011) 2295-2310. DOI

Kim, Jae C., Charles J. Moore, Byoungwoo Kang, Geoffroy Hautier, Anubhav Jain, and Gerbrand Ceder."Synthesis and Electrochemical Properties of Monoclinic LiMnBO₃ as a Li Intercalation Material."Journal of The Electrochemical Society 158.3 (2011) A309-A309. DOI

Hautier, Geoffroy, Christopher C. Fischer, Virginie Ehrlacher, Anubhav Jain, and Gerbrand Ceder."Data Mined Ionic Substitutions for the Discovery of New Compounds."Inorganic Chemistry 50 (2011) 656-663. DOI

2010

Persson, Kristin A., Yoyo Hinuma, Ying Shirley Meng, Anton Van der Ven, and Gerbrand Ceder."Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations."Physical Review B 82.12-15 (2010) 125416. DOI

Hautier, Geoffroy, Christopher C. Fischer, Anubhav Jain, Tim Mueller, and Gerbrand Ceder."Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory."Chemistry of Materials 22 (2010) 3762-3767. DOI

Jain, Anubhav, S.-A. Seyed-Reihani, Christopher C. Fischer, David J. Couling, Gerbrand Ceder, and William H. Green."Ab initio screening of metal sorbents for elemental mercury capture in syngas streams."Chemical Engineering Science 65.10 (2010) 3025-3033. DOI

Ong, Shyue P., Anubhav Jain, Geoffroy Hautier, Byoungwoo Kang, and Gerbrand Ceder."Thermal stabilities of delithiated olivine MPO₄ (M=Fe, Mn) cathodes investigated using first principles calculations."Electrochemistry Communications 12.3 (2010) 427-430. DOI

Persson, Kristin A., Vijay A. Sethuraman, Laurence J. Hardwick, Yoyo Hinuma, Ying Shirley Meng, Anton Van der Ven, Venkat Srinivasan, Robert Kostecki, and Gerbrand Ceder."Lithium diffusion in graphitic carbon."The Journal of Physical Chemistry Letters 1.8 (2010) 1176-1180. DOI

2009

Tang, Lei, Byungchan Han, Kristin A. Persson, Cody Friesen, Ting He, Karl Sieradzki, and Gerbrand Ceder."Electrochemical stability of nanometer-scale Pt particles in acidic environments."Journal of the American Chemical Society 132.2 (2009) 596-600. DOI

Doe, Robert E, Kristin A. Persson, Geoffroy Hautier, and Gerbrand Ceder."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. DOI

2008

Bi, Lei, Alexander R. Taussig, Hyun-Suk Kim, Lei Wang, Gerald F. Dionne, D. Bono, Kristin A. Persson, Gerbrand Ceder, and Caroline A. Ross."Structural, magnetic, and optical properties of BiFeO₃ and Bi₂FeMnO₆ epitaxial thin films: An experimental and first-principles study."Physical Review B 78 (2008) 104106. DOI

Sivakumar, , V., Caroline A. Ross, N. Yabuuchi, Yang Shao-Horn, Kristin A. Persson, and Gerbrand Ceder."Electrochemical Control of the Magnetic Moment of CrO₂."Journal of The Electrochemical Society 155 (2008) P83-P88.

Doe, Robert E, Kristin A. Persson, Ying Shirley Meng, and Gerbrand Ceder."First-Principles Investigation of the Li-Fe-F Phase Diagram and Equilibrium and Nonequilibrium Conversion Reactions of Iron Fluorides with Lithium."Chemistry of Materials 20.16 (2008) 5274-5283. DOI

Predith, A., Gerbrand Ceder, Chris Wolverton, Kristin A. Persson, and Tim Mueller."Ab initio prediction of ordered ground-state structures in ZrO₂-Y₂O₃."Physical Review B 77 (2008). DOI

2007

Gallardo-Amores, Jose M., Neven Biskup, Ulises Amador, Kristin A. Persson, Gerbrand Ceder, and M. Elena Arroyo y de Dompablo."Computational and Experimental Investigation of the Transformation of V₂O₅ Under Pressure."Chemistry of Materials 19 (2007) 5262-5271. DOI

2006

Persson, Kristin A., Amelia Bengtson, Gerbrand Ceder, and Dane Morgan."Ab initio study of the composition dependence of the pressure-induced spin transition in the (Mg_1-x,Fe_x)O system."Geophysical Research Letters 33 (2006).

Persson, Kristin A., Gerbrand Ceder, and Dane Morgan."Spin transitions in the Fe_xMn_1-xS₂ system."Physical Review B 73 (2006).

2003

Curtarolo, Stefano, Dane Morgan, Kristin A. Persson, John Rodgers, and Gerbrand Ceder."Predicting Crystal Structures with Data Mining of Quantum Calculations."Physical Review Letters 91 (2003).