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2012

Zheng, Honghe, Qunting Qu, Li Zhang, Gao Liu, and Vincent S Battaglia."Hard carbon: a promising lithium-ion battery anode for high temperature applications with ionic electrolyte."Rsc Advances 2.11 (2012) 4904-4912. DOI
Grimvall, Göran, Blanka Magyari-Köpe, Vidvuds Ozoliņš, and Kristin A Persson."Lattice instabilities in metallic elements."Reviews of Modern Physics 84.2 (2012). DOI
Xun, Shidi, Jin Chong, Xiangyun Song, Gao Liu, and Vincent S Battaglia."Li4P2O7 modified high performance Li3V2(PO4)3 cathode material."Journal of Materials Chemistry 22.31 (2012) 15775-15781. DOI
Persson, Kristin A, Bryn Waldwick, Predrag Lazic, and Gerbrand Ceder."Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states."Physical Review B 85.23 (2012). DOI
Jain, Anubhav, Geoffroy Hautier, Charles J Moore, Byoungwoo Kang, Jinhyuk Lee, Hailong Chen, Nancy Twu, and Gerbrand Ceder."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. DOI
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