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2013
Hautier, Geoffroy, Anubhav Jain, and Tim Mueller."Designing Multi-Electron Lithium-Ion Phosphate Cathodes by Mixing Transition Metals."Chemistry of Materials
25.10 (2013) 2064-2074. DOI
Tahir, , Nadeem, Altaf Karim, Kristin A. Persson, Syed T. Hussain, , Alejandro G. Cruz, , Muhammad Usman, , Muhammad Naeem, Ruimin Qiao, Wanli Yang, and Yi- De Chuang."Surface Defects: Possible Source of Room Temperature Ferromagnetism in Co-Doped ZnO Nanorods."The Journal of Physical Chemistry C
117.17 (2013) 8968-8973. DOI
Chong, Jin, Shidi Xun, Xiangyun Song, Gao Liu, and Vincent S. Battaglia."Surface stabilized LiNi0.5Mn1.5O4 cathode materials with high-rate capability and long cycle life for lithium ion batteries."Nano energy
2.2 (2013) 283-293. DOI
Huang, Jijun, Elena Ten, Gao Liu, Matthew Finzen, Wenli Yu, Janice S. Lee, Eduardo Saiz, and Antoni P. Tomsia."Biocomposites of pHEMA with HA/β-TCP (60/40) for bone tissue engineering: Swelling, hydrolytic degradation, and in vitro behavior."Polymer
54.3 (2013) 1197-1207. DOI
Ong, Shyue P., William D. Richards, Anubhav Jain, Geoffroy Hautier, , Michael Kocher, Shreyas Cholia, Dan Gunter, Vincent L. Chevrier, Kristin A. Persson, and Gerbrand Ceder."Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis."Computational Materials Science
68 (2013) 314-319. DOI
Karim, Altaf, , Sonia Fosse, and Kristin A. Persson."Surface structure and equilibrium particle shape of the LiMn2O4 spinel from first-principles calculations."Physical Review B
87.7 (2013). DOI
Huang, Jijun, Dacheng Zhao, , Smit J. Dangaria, , Xianghong Luan, Thomas G.H. Diekwisch, , Guoqing Jiang, Eduardo Saiz, Gao Liu, and Antoni P. Tomsia."Combinatorial design of hydrolytically degradable, bone-like biocomposites based on PHEMA and hydroxyapatite."Polymer
54.2 (2013) 909-919. DOI
Xun, Shidi, Xiangyun Song, Vincent S. Battaglia, and Gao Liu."Conductive Polymer Binder-Enabled Cycling of Pure Tin Nanoparticle Composite Anode Electrodes for a Lithium-Ion Battery."Journal of the Electrochemical Society
160.6 (2013) A849 - A855. DOI
Xiang, Bin, Lei Wang, Gao Liu, and Andrew M. Minor."Electromechanical Probing of Li/Li2CO3 Core/Shell Particles in a TEM."Journal of the Electrochemical Society
160.3 (2013) A415-A419. DOI
Wu, Yabi, Predrag Lazic, Geoffroy Hautier, Kristin A. Persson, and Gerbrand Ceder."First principles high throughput screening of oxynitrides for water-splitting photocatalysts."Energy & Environmental Science
6.1 (2013) 157-168. DOI
2012
Gunter, Dan, Shreyas Cholia, Anubhav Jain, , Michael Kocher, Kristin A. Persson, Lavanya Ramakrishnan, Shyue P. Ong, and Gerbrand Ceder."Community Accessible Datastore of High-Throughput Calculations: Experiences from the Materials Project."High Performance Computing, Networking, Storage and Analysis (SCC) 2012
(2012) 1244-1251. DOI
Zheng, Honghe, Li Zhang, Gao Liu, Xiangyun Song, and Vincent S. Battaglia."Correlationship between electrode mechanics and long-term cycling performance for graphite anode in lithium ion cells."Journal of Power Sources
217 (2012) 530-537. DOI
Hautier, Geoffroy, Anubhav Jain, and Shyue P. Ong."From the computer to the laboratory: materials discovery and design using first-principles calculations."Journal of Materials Science
47.21 (2012) 7317-7340. DOI
Cho, Kyu-Taek, Paul L. Ridgway, Adam Z. Weber, Sophia Haussener, Vincent S. Battaglia, and Venkat Srinivasan."High performance hydrogen/bromine redox flow battery for grid-scale energy storage."Journal of The Electrochemical Society
159.11 (2012) A1806-A1815. DOI
Lee, Eunseok, and Kristin A. Persson."Li absorption and intercalation in single layer graphene and few layer graphene by first principles."Nano letters
12.9 (2012) 4624-4628. DOI
Zuo, Xiang, Xiao-Min Liu, Feng Cai, Hui Yang, Xiao-Dong Shen, and Gao Liu."A novel all-solid electrolyte based on a co-polymer of poly-(methoxy/hexadecal-poly(ethylene glycol) methacrylate) for lithium-ion cell."Journal of Materials Chemistry
22.41 (2012) 22265-22271. DOI
Liu, Xiaosong, Jun Liu, Ruimin Qiao, Yan Yu, Hong Li, Liumin Suo, Yong-sheng Hu, Yi- De Chuang, Guojiun Shu, Fangcheng Chou, Tsu-Chien Weng, Dennis Nordlund, Dimosthenis Sokaras, Yung J. Wang, Hsin Lin, Bernardo Barbiellini, Arun Bansil, Xiangyun Song, Zhi Liu, Shishen Yan, Gao Liu, Shan Qjao, Thomas J. Richardson, David G. Prendergast, Zahid Hussain, Frank M.F. de Groot, and Wanli Yang."Phase Transformation and Lithiation Effect on Electronic Structure of LixFePO4: An In-Depth Study by Soft X-ray and Simulations."Journal of the American Chemical Society
134.33 (2012) 13708-13715. DOI
Zheng, Honghe, , Li Tan, Gao Liu, Xiangyun Song, and Vincent S. Battaglia."Calendering effects on the physical and electrochemical properties of Li[Ni1/3Mn1/3Co1/3]O2 cathode."Journal of Power Sources
208 (2012) 52-57. DOI
Zheng, Honghe, , Jing Li, Xiangyun Song, Gao Liu, and Vincent S. Battaglia."A comprehensive understanding of electrode thickness effects on the electrochemical performances of Li-ion battery cathodes."Electrochimica Acta
71 (2012) 258-265. DOI
Zheng, Honghe, Qingna Sun, Gao Liu, Xiangyun Song, and Vincent S. Battaglia."Correlation between dissolution behavior and electrochemical cycling performance for LiNi1/3Co1/3Mn1/3O2-based cells."Journal of Power Sources
207 (2012) 134-140. DOI
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
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