Publications

X Term: Applied Energy Materials Group

2011

Chong, Jin, Shidi Xun, Honghe Zheng, Xiangyun Song, Gao Liu, Paul L. Ridgway, Ji Q. Wang, and Vincent S. Battaglia."A comparative study of polyacrylic acid and poly (vinylidene difluoride) binders for spherical natural graphite/LiFePO4 electrodes and cells."Journal of Power Sources 196.18 (2011) 7707-7714. DOI
Mueller, Tim, Geoffroy Hautier, Anubhav Jain, and Gerbrand Ceder."Evaluation of tavorite-structured cathode materials for lithium-ion batteries using high-throughput computing."Chemistry of Materials 23.17 (2011) 3854-3862. DOI
Ong, Shyue P., Vincent L. Chevrier, Geoffroy Hautier, Anubhav Jain, Charles J. Moore, Sangtae Kim, XiaoHui Ma, and Gerbrand Ceder."Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials."Energy & Environmental Science 4 (2011) 3680-3688. DOI
Xiao, Jie, Xiaojian Wang, Xiao-Qing Yang, Shidi Xun, Gao Liu, Phillip K. Koech, Jun Liu, and John P. Lemmon."Electrochemically Induced High Capacity Displacement Reaction of PEO/MoS2/Graphene Nanocomposites with Lithium."Advanced Functional Materials 21 (2011) 2840-2846. DOI
Hautier, Geoffroy, Anubhav Jain, Shyue P. Ong, Byoungwoo Kang, Charles J. Moore, Robert E Doe, and Gerbrand Ceder."Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput Ab Initio Calculations."Chemistry of Materials 23.15 (2011) 3495-3508. DOI
Jain, Anubhav, Geoffroy Hautier, Shyue P. Ong, Charles J. Moore, Christopher C. Fischer, Kristin A. Persson, and Gerbrand Ceder."Formation enthalpies by mixing GGA and GGA+ U calculations."Physical Review B 84.4 (2011). DOI
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
Kim, Suhan, Moon Jeong Park, Nitash P. Balsara, Gao Liu, and Andrew M. Minor."Minimization of focused ion beam damage in nanostructured polymer thin films."Ultramicroscopy 111.3 (2011) 191-199. 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
Xun, Shidi, Xiangyun Song, Michael E. Grass, Daniel K. Roseguo, Zhi Liu, Vincent S. Battaglia, and Gao Li."Improved Initial Performance of Si Nanoparticles by Surface Oxide Reduction for Lithium-Ion Battery Application."Electrochemical Solid-State Letters 14.5 (2011) A61-A63 . 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
Zheng, Honghe, Gao Liu, Xiangyun Song, Paul L. Ridgway, Shidi Xun, and Vincent S. Battaglia."Cathode performance as a function of inactive material and void fractions."Journal of The Electrochemical Society 157.10 (2010) A1060-A1066. 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
Zheng, Honghe, Gao Liu, and Vincent S. Battaglia."Film-forming properties of propylene carbonate in the presence of a quaternary ammonium ionic liquid on natural graphite anode."The Journal of Physical Chemistry C 114.13 (2010) 6182-6189. 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
Zheng, Honghe, Gao Liu, Xiangyun Song, Paul L. Ridgway, Shidi Xun, and Vincent S. Battaglia."An Optimization of Electrode Energy and Power Density through of Variations in Inactive Material and Electrode Porosity."J. Elec. Chem (2010).

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
Kim, Suhan, Gao Liu, and Andrew M. Minor."FIB Sample Preparation of Polymer Thin Films on Hard Substrates Using the Shadow-FIB method."Microscopy Today 17 (2009) 20-23.
Zhang, Yuxi, Honghe Zheng, Gao Liu, and Vincent S. Battaglia."Synthesis and electrochemical studies of a layered spheric TiO2 through low temperature solvothermal method."Electrochimica Acta 54.16 (2009) 4079-4083. 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
Liu, Deang, Michael Fina, Jinghua Guo, Xiaobo Chen, Gao Liu, Stephen G. Johnson, and Samuel S. Mao."Organic light-emitting diodes with carbon nanotube cathode-organic interface layer."Applied Physics Letters 94.1 (2009). DOI
Ridgway, Paul L., Honghe Zheng, Xiangyun Song, Gao Liu, Philip N. Ross, and Vincent S. Battaglia."Effect of Vinylene Carbonate on Graphite Anode Cycling Efficiency."Electrochemical Society 19.25 (2009) 51-57. DOI