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2015
Zhu, Hong, Geoffroy Hautier, Umut Aydemir, Zachary M Gibbs, Guodong Li, Saurabh Bajaj, Jan-Hendrik Pöhls, Danny Broberg, Wei Chen, Anubhav Jain, Mary Anne White, Mark D Asta, G. G Jeffrey Snyder, Kristin A Persson, and Gerbrand Ceder."Computational and experimental investigation of TmAgTe 2 and XYZ 2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening."Journal of Materials Chemistry C
3.40 (2015) 10554 - 10565. DOI
Canepa, Pieremanuele, Saivenkataraman Jayaraman, Lei Cheng, Nav Nidhi Rajput, William D Richards, Gopalakrishnan Sai Gautam, Larry A Curtiss, Kristin A Persson, and Gerbrand Ceder."Elucidating the structure of the magnesium aluminum chloride complex electrolyte for magnesium-ion batteries."Energy & Environmental Science
8.12 (2015) 3718 - 3730. DOI
Frischmann, Peter D, Laura C. H Gerber, Sean E Doris, Erica Y Tsai, Frank Y Fan, Xiaohui Qu, Anubhav Jain, Kristin A Persson, Yet-Ming Chiang, and Brett A Helms."Supramolecular Perylene Bisimide-Polysulfide Gel Networks as Nanostructured Redox Mediators in Dissolved Polysulfide Lithium–Sulfur Batteries."Chemistry of Materials
27.19 (2015) 6765 - 6770. DOI
de Jong, Maarten, Wei Chen, Henry Geerlings, Mark D Asta, and Kristin A Persson."A database to enable discovery and design of piezoelectric materials."Scientific Data
2.1 (2015). DOI
Zhao, Hui, Yang Wei, Ruimin Qiao, Chenhui Zhu, Ziyan Zheng, Min Ling, Zhe Jia, Ying Bai, Yanbao Fu, Jinglei Lei, Xiangyun Song, Vincent S Battaglia, Wanli Yang, Phillip B Messersmith, and Gao Liu."Conductive Polymer Binder for High-Tap-Density Nanosilicon Material for Lithium-Ion Battery Negative Electrode Application."Nano Letters
15.12 (2015) 7927 - 7932. DOI
Ai, Guo, Yiling Dai, Yifan Ye, Wenfeng Mao, Zhihui Wang, Hui Zhao, Yulin Chen, Junfa Zhu, Yanbao Fu, Vincent S Battaglia, Jinghua Guo, Venkat Srinivasan, and Gao Liu."Investigation of surface effects through the application of the functional binders in lithium sulfur batteries."Nano Energy
16 (2015) 28-37. DOI
Huck, Patrick, Anubhav Jain, Dan Gunter, Donald Winston, and Kristin A Persson."A Community Contribution Framework for Sharing Materials Data with Materials Project."2015 IEEE 11th International Conference on e-Science (e-Science)2015 IEEE 11th International Conference on e-Science
(2015). DOI
Cheng, Lei, Cheng Hao Wu, Angelique Jarry, Wei Chen, Yifan Ye, Junfa Zhu, Robert Kostecki, Kristin A Persson, Jinghua Guo, Miquel Salmeron, Guoying Chen, and Marca M Doeff."Interrelationships among Grain Size, Surface Composition, Air Stability, and Interfacial Resistance of Al-Substituted LiLa...."ACS Applied Materials & Interfaces
7.32 (2015) 17649 - 17655. DOI
Rong, Ziqin, Rahul Malik, Pieremanuele Canepa, Sai Gautam Gopalakrishnan, Miao Liu, Anubhav Jain, Kristin A Persson, and Gerbrand Ceder."Materials Design Rules for Multivalent Ion Mobility in Intercalation Structures."Chemistry of Materials
27.17 (2015) 6016 - 6021. DOI
Ling, Min, Jingxia Qiu, Sheng Li, Cheng Yan, Milton J Kiefel, Gao Liu, and Shanqing Zhang."Multifunctional SA-PProDOT Binder for Lithium Ion Batteries."Nano Letters
15.7 (2015) 4440 - 4447. DOI
Gautam, Gopalakrishnan Sai, Pieremanuele Canepa, Rahul Malik, Miao Liu, Kristin A Persson, and Gerbrand Ceder."First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5."Chemical Communications
51.71 (2015) 13619 - 13622. DOI
Mao, Wenfeng, Yanbao Fu, Hui Zhao, Guo Ai, Yiling Dai, Dechao Meng, Xin-he Zhang, Deyang Qu, Gao Liu, Vincent S Battaglia, and Zhi-yuan Tang."Rational Design and Facial Synthesis of Li3V2(PO4)3@C Nanocomposites Using Carbon with Different Dimensions for Ultrahigh-Rate Lithium-Ion Batteries."ACS Applied Materials & Interfaces
7 (2015) 12057-12066. DOI
Qu, Xiaohui, Anubhav Jain, Nav Nidhi Rajput, Lei Cheng, Yong Zhang, Shyue P Ong, Miriam Brafman, Edward Maginn, Larry A Curtiss, and Kristin A Persson."The Electrolyte Genome project: A big data approach in battery materials discovery."Computational Materials Science
103 (2015) 56-67. DOI
Xiao, Qiangfeng, Meng Gu, Hui Yang, Bing Li, Cunman Zhang, Yang Liu, Fang Liu, Fang Dai, Li Yang, Zhongyi Liu, Xingcheng Xiao, Gao Liu, Peng Zhao, Sulin Zhang, Chongmin Wang, Yunfeng Lu, and Mei Cai."Inward lithium-ion breathing of hierarchically porous silicon anodes."Nature Communications
6 (2015) 8844. DOI
Canepa, Pieremanuele, Gopalakrishnan Sai Gautam, Rahul Malik, Saivenkataraman Jayaraman, Ziqin Rong, Kevin R Zavadil, Kristin A Persson, and Gerbrand Ceder."Understanding the Initial Stages of Reversible Mg Deposition and Stripping in Inorganic Nonaqueous Electrolytes."Chemistry of Materials
27.9 (2015) 3317 - 3325. DOI
Zhao, Hui, Wen Yuan, and Gao Liu."Hierarchical electrode design of high-capacity alloy nanomaterials for lithium-ion batteries."Nano Today
10 (2015) 193-212. DOI
Yan, Qimin, Guo Li, Paul F Newhouse, Jie Yu, Kristin A Persson, John M Gregoire, and Jeffrey B Neaton."MnM2V2O7: An Earth Abundant Light Absorber for Solar Water Splitting."Advanced Energy Materials
5 (2015). DOI
Shi, Feifei, Philip N Ross, Hui Zhao, Gao Liu, Gabor A Somorjai, and Kyriakos Komvopoulos."A Catalytic Path for Electrolyte Reduction in Lithium-Ion Cells Revealed by in Situ Attenuated Total Reflection-Fourier Transform Infrared Spectroscopy."Journal of the American Chemical Society
137 (2015) 3181-3184. DOI
de Jong, Maarten, Wei Chen, Thomas Angsten, Anubhav Jain, Randy Notestine, Anthony C Gamst, Marcel Sluiter, Chaitanya Krishna Ande, Sybrand van der Zwaag, Jose J Plata, Cormac Toher, Stefano Curtarolo, Gerbrand Ceder, Kristin A Persson, and Mark D Asta."Charting the complete elastic properties of inorganic crystalline compounds."Scientific Data
2 (2015). DOI
Ling, Min, Yanan Xu, Hui Zhao, Xingxing Gu, Jingxia Qiu, Sheng Li, Mingyan Wu, Xiangyun Song, Cheng Yan, Gao Liu, and Shanqing Zhang."Dual-functional gum arabic binder for silicon anodes in lithium ion batteries."Nano Energy
12 (2015) 178-185. DOI
Shao, Yuyan, Nav Nidhi Rajput, Jianzhi Hu, Mary Hu, Tianbiao Liu, Zhehao Wei, Meng Gu, Xuchu Deng, Suochang Xu, Kee Sung Han, Jiulin Wang, Zimin Nie, Guosheng Li, Kevin R Zavadil, Jie Xiao, Chongmin Wang, Wesley A Henderson, Ji-Guang Zhang, Yong Wang, Karl T Mueller, Kristin A Persson, and Jun Liu."Nanocomposite polymer electrolyte for rechargeable magnesium batteries."Nano Energy
12 (2015) 750-759. DOI
Sun, Wenhao, Saivenkataraman Jayaraman, Wei Chen, Kristin A Persson, and Gerbrand Ceder."Nucleation of metastable aragonite CaCO3 in seawater."Proceedings of the National Academy of Sciences
112 (2015) 3199-3204. DOI
Ding, Hong, Bharat Medasani, Wei Chen, Kristin A Persson, Maciej Haranczyk, and Mark D Asta."PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds."Computer Physics Communications
193 (2015) 118-123. DOI
Liu, Miao, Ziqin Rong, Rahul Malik, Pieremanuele Canepa, Anubhav Jain, Gerbrand Ceder, and Kristin A Persson."Spinel compounds as multivalent battery cathodes: a systematic evaluation based on ab initio calculations."Energy & Environmental Science
8 (2015) 964-974. DOI
Zhao, Hui, Zhe Jia, Wen Yuan, Heyi Hu, Yanbao Fu, Gregory L Baker, and Gao Liu."Fumed Silica-Based Single-Ion Nanocomposite Electrolyte for Lithium Batteries."ACS Applied Materials & Interfaces
7.34 (2015) 19335 - 19341. DOI