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2012
Chen, Hailong, Geoffroy Hautier, Anubhav Jain, Charles J Moore, Byoungwoo Kang, Robert E Doe, Lijun Wu, Yime Zhu, Yuanzhi Tang, and Gerbrand Ceder."Carbonophosphates: A New Family of Cathode Materials for Li-Ion Batteries Identified Computationally."Chemistry of Materials
24 (2012) 2009-2016. DOI
Hautier, Geoffroy, Shyue P Ong, Anubhav Jain, Charles J Moore, and Gerbrand Ceder."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. DOI
Huang, Jijun, Gao Liu, Chengyu Song, Eduardo Saiz, and Antoni P Tomsia."Role of Molecular Chemistry of Degradable pHEMA Hydrogels in Three-Dimensional Biomimetic Mineralization."Chemistry of Materials
24.7 (2012) 1331-1337. DOI
Ma, XiaoHui, Geoffroy Hautier, Anubhav Jain, Robert E Doe, and Gerbrand Ceder."Improved Capacity Retention for LiVO2 by Cr Substitution."Journal of the Electrochemical Society
160.2 (2012) A279-A284. DOI
Chong, Jin, Shidi Xun, Xiangyun Song, Paul L Ridgway, Gao Liu, and Vincent S Battaglia."Towards the understanding of coatings on rate performance of LiFePO4."Journal of Power Sources
200 (2012) 67-76. DOI
Zheng, Honghe, Ruizhi Yang, Gao Liu, Xiangyun Song, and Vincent S Battaglia."Cooperation between active material, polymeric binder and conductive carbon additive in lithium ion battery cathode."The Journal of Physical Chemistry C
116.7 (2012) 4875-4882. DOI
Wu, Shao-Ling, Wei Zhang, Xiangyun Song, Alpesh K Shukla, Gao Liu, Vincent S Battaglia, and Venkat Srinivasan."High Rate Capability of Li(Ni1/3Mn1/3Co1/3)O2 Electrode for Li-Ion Batteries."Journal of The Electrochemical Society
159.4 (2012) A438-A444. DOI
Liu, Gao, Honghe Zheng, Xiangyun Song, and Vincent S Battaglia."Particles and polymer binder interaction: a controlling factor in lithium-ion electrode performance."Journal of The Electrochemical Society
159.3 (2012) A214-A221. DOI
Lee, Eunseok, and Kristin A Persson."Revealing the coupled cation interactions behind the electrochemical profile of LixNi0.5Mn1.5O4."Energy & Environmental Science
5.3 (2012) 6047-6051. DOI
2011
Ceder, Gerbrand, Geoffroy Hautier, Anubhav Jain, and Shyue P Ong."Recharging lithium battery research with first-principles methods."MRS Bulletin
36.03 (2011) 185-191. DOI
Hautier, Geoffroy, Anubhav Jain, Hailong Chen, Charles J Moore, Shyue P Ong, and Gerbrand Ceder."Novel mixed polyanions lithium-ion battery cathode materials predicted by high-throughput ab initio computations."Journal of Materials Chemistry
21 (2011) 17147-17153. DOI
Xun, Shidi, Xiangyun Song, Linwang Wang, Michael E Grass, Zhi Liu, Vincent S Battaglia, and Gao Liu."The Effects of Native Oxide Surface Layer on the Electrochemical Performance of Si Nanoparticle-Based Electrodes."Journal of The Electrochemical Society
158 (2011) A1260-A1266. DOI
Liu, Gao, Shidi Xun, Nenad Vukmirovic, Xiangyun Song, Paul Olalde-Velasco, Honghe Zheng, Vincent S Battaglia, Linwang Wang, and Wanli Yang."Polymers with tailored electronic structure for high capacity lithium battery electrodes."Advanced Materials
23.40 (2011) 4679-4683. DOI
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