Applied Energy Materials Group

Lee, Eunseok, and Kristin A Persson. "Solid-Solution Li Intercalation as a Function of Cation Order/Disorder in the High-Voltage Li_xNi_0.5Mn_1.5O₄ Spinel." Chemistry of Materials 25.14 (2013) 2885–2889.

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Lee, Eunseok, and Kristin A Persson. "Structural and Chemical Evolution of the Layered Li-Excess Li_xMnO₃ as a Function of Li Content from First-Principles Calculations." Advanced Energy Materials (2014).

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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.

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Liu, Gao, Honghe Zheng, Vincent S Battaglia, Amanda S Simens, Andrew M Minor, and Xiangyun Song. "Optimization of Acetylene Black Conductive Additive and Polyvinylidene Difluoride Composition for High Power Rechargeable Lithium-Ion Cells." ECS Transactions 6.14 (2007) 45–56.

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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.

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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 Li_xFePO₄: An In-Depth Study by Soft X-ray and Simulations." Journal of the American Chemical Society 134.33 (2012) 13708–13715.

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Liu, Xiaosong, Dongdong Wang, Gao Liu, Venkat Srinivasan, Zhi Liu, Zahid Hussain, and Wanli Yang. "Distinct charge dynamics in battery electrodes revealed by in situ and operando soft X-ray spectroscopy." Nature communications 4 (2013).

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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.

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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.

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Lee, Eunseok, and Kristin A Persson. "Revealing the coupled cation interactions behind the electrochemical profile of Li_xNi_0.5Mn_1.5O₄." Energy & Environmental Science 5.3 (2012) 6047–6051.

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Lee, Eunseok, and Kristin A Persson. "First-principles study of the nano-scaling effect on the electrochemical behavior in LiNi_0.5Mn_1.5O₄." Nanotechnology 24.42 (2013).

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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.

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Kim, Jung-Hyun, Ashfia Huq, Miaofang Chi, Nicholas P. W Pieczonka, Eunseok Lee, Craig A Bridges, Misle M Tessema, Arumugam Manthiram, Kristin A Persson, and Bob R Powell. "Integrated Nano-Domains of Disordered and Ordered Spinel Phases in LiNi_0.5Mn_1.5O₄ for Li-Ion Batteries." Chemistry of Materials 26.15 (2014) 4377–4386.

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Lapidus, Saul H, Nav Nidhi Rajput, Xiaohui Qu, Karena W Chapman, Kristin A Persson, and Peter J Chupas. "Solvation structure and energetics of electrolytes for multivalent energy storage." Physical Chemistry Chemical Physics (2014).

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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.

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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.

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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).

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Jain, Anubhav, Shyue P Ong, Geoffroy Hautier, Wei Chen, William D Richards, Stephen Dacek, Shreyas Cholia, Dan Gunter, David Skinner, Gerbrand Ceder, and Kristin A Persson. "Commentary: The Materials Project: A materials genome approach to accelerating materials innovation." APL Materials 1.1 (2013).

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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.

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Jain, Anubhav, and Vivian Stojanoff. "Are you centered? An automatic crystal-centering method for high-throughput macromolecular crystallography." Journal of synchrotron radiation 14.Pt 4 (2007) 355–60.

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