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2016

Dunstan, Matthew T, Anubhav Jain, Wen Liu, Shyue Ping Ong, Tao Liu, Jeongjae Lee, Kristin A Persson, Stuart A Scott, John S Dennis, and Clare P Grey."Large scale computational screening and experimental discovery of novel materials for high temperature CO 2 capture."Energy & Environmental Science 9.4 (2016) 1346 - 1360. DOI
Shin, Yongwoo, Hong Ding, and Kristin A Persson."Revealing the Intrinsic Li Mobility in the Li 2 MnO 3 Lithium-Excess Material."Chemistry of Materials 28.7 (2016) 2081 - 2088. DOI
Zhou, Lan, Qimin Yan, Jie Yu, Ryan J. R Jones, Natalie Becerra-Stasiewicz, Santosh K Suram, Aniketa Shinde, Dan Guevarra, Jeffrey B Neaton, Kristin A Persson, and John M Gregoire."Stability and self-passivation of copper vanadate photoanodes under chemical, electrochemical, and photoelectrochemical operation."Physical Chemistry Chemical Physics 18.14 (2016) 9349 - 9352. DOI
de Jong, Maarten, Wei Chen, Randy Notestine, Kristin A Persson, Gerbrand Ceder, Anubhav Jain, Mark D Asta, and Anthony C Gamst."A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds."Scientific Reports 6.1 (2016). DOI
Liu, Tiefeng, Bo Wang, Xingxing Gu, Lei Wang, Min Ling, Gao Liu, Dianlong Wang, and Shanqing Zhang."All-climate sodium ion batteries based on the NASICON electrode materials."Nano Energy 30 (2016) 756 - 761. DOI
Petousis, Ioannis, Wei Chen, Geoffroy Hautier, Tanja Graf, Thomas D Schladt, Kristin A Persson, and Fritz B Prinz."Benchmarking density functional perturbation theory to enable high-throughput screening of materials for dielectric constant and refractive index."Physical Review B 93.11 (2016). DOI
Jain, Anubhav, Yongwoo Shin, and Kristin A Persson."Computational predictions of energy materials using density functional theory."Nature Reviews Materials 1.1 (2016). DOI
Zhao, Hui, Allen Du, Min Ling, Vincent S Battaglia, and Gao Liu."Conductive polymer binder for nano-silicon/graphite composite electrode in lithium-ion batteries towards a practical application."Electrochimica Acta 209 (2016) 159 - 162. DOI
Zhao, Hui, Yanbao Fu, Min Ling, Zhe Jia, Xiangyun Song, Zonghai Chen, Jun Lu, Khalil Amine, and Gao Liu."Conductive Polymer Binder-Enabled SiO–Snx CoyCzAnode for High-Energy Lithium-Ion Batteries."ACS Applied Materials & Interfaces 8.21 (2016) 13373 - 13377. DOI
Liu, Yanping, Kyle Tom, Xi Wang, Chunming Huang, Hongtao Yuan, Hong Ding, Changhyun Ko, Joonki Suh, Lawrence Pan, Kristin A Persson, and Jie Yao."Dynamic Control of Optical Response in Layered Metal Chalcogenide Nanoplates."Nano Letters 16.1 (2016) 488 - 496. DOI
He, Min, Zhihui Wang, Xiaodong Yan, Lihong Tian, Gao Liu, and Xiaobo Chen."Hydrogenation effects on the lithium ion battery performance of TiOF2."Journal of Power Sources 306 (2016) 309 - 316. DOI
Yan, Aiming, Wei Chen, Colin Ophus, Jim Ciston, Yuyuan Lin, Kristin A Persson, and Alex Zettl."Identifying different stacking sequences in few-layer CVD-grown."Physical Review B 93.4 (2016). DOI
Ai, Guo, Zhihui Wang, Yiling Dai, Wenfeng Mao, Hui Zhao, Yanbao Fu, Yunfei En, Vincent S Battaglia, and Gao Liu."Improving the over-all performance of Li-S batteries via electrolyte optimization with consideration of loading condition."Electrochimica Acta 218 (2016) 1 - 7. DOI
Ai, Guo, Zhihui Wang, Hui Zhao, Wenfeng Mao, Yanbao Fu, Ran Yi, Yue Gao, Vincent S Battaglia, Donghai Wang, Sergey Lopatin, and Gao Liu."Scalable process for application of stabilized lithium metal powder in Li-ion batteries."Journal of Power Sources 309 (2016) 33 - 41. DOI
Mao, Jing, Mengze Ma, Panpan Liu, Junhua Hu, Guosheng Shao, Vincent S Battaglia, Kehua Dai, and Gao Liu."The effect of cobalt doping on the morphology and electrochemical performance of high-voltage spinel LiNi0.5Mn1.5O4cathode material."Solid State Ionics 292 (2016) 70 - 74. DOI
Aydemir, Umut, Jan-Hendrik Pöhls, Hong Zhu, Geoffroy Hautier, Saurabh Bajaj, Zachary M Gibbs, Wei Chen, Guodong Li, Saneyuki Ohno, Danny Broberg, Stephen Dongmin Kang, Mark D Asta, Gerbrand Ceder, Mary Anne White, Kristin A Persson, Anubhav Jain, and G. G Jeffrey Snyder."YCuTe 2 : a member of a new class of thermoelectric materials with CuTe 4 -based layered structure."Journal of Materials Chemistry A 4.7 (2016) 2461 - 2472. DOI

2015

Feng, Caihong, Le Zhang, Menghuan Yang, Xiangyun Song, Hui Zhao, Zhe Jia, Kening Sun, and Gao Liu."One-Pot Synthesis of Copper Sulfide Nanowires/Reduced Graphene Oxide Nanocomposites with Excellent Lithium-Storage Properties as Anode Materials for Lithium-Ion Batteries."ACS Applied Materials & Interfaces 7.29 (2015) 15726 - 15734. DOI
Jia, Zhe, Hui Zhao, Ying Bai, Ting Zhang, Amanda S Lupinacci, Andrew M Minor, and Gao Liu."Solvent processed conductive polymer with single-walled carbon nanotube compositesAbstract."Journal of Materials Research 30.22 (2015) 3403 - 3411. DOI
Park, Sang-Jae, Hui Zhao, Guo Ai, Cheng Wang, Xiangyun Song, Neslihan Yuca, Vincent S Battaglia, Wanli Yang, and Gao Liu."Side-Chain Conducting and Phase-Separated Polymeric Binders for High-Performance Silicon Anodes in Lithium-Ion Batteries."Journal of the American Chemical Society 137.7 (2015) 2565 - 2571. DOI
Zhao, Hui, Neslihan Yuca, Ziyan Zheng, Yanbao Fu, Vincent S Battaglia, Guerfi Abdelbast, Karim Zaghib, and Gao Liu."High Capacity and High Density Functional Conductive Polymer and SiO Anode for High-Energy Lithium-Ion Batteries."ACS Applied Materials & Interfaces 7.1 (2015) 862 - 866. DOI
Jain, Anubhav, Shyue Ping Ong, Wei Chen, Bharat Medasan, Xiaohui Qu, Michael Kocher, Miriam Brafman, Guido Petretto, Gian-Marco Rignanese, Geoffroy Hautier, Daniel Gunter, and Kristin A Persson."FireWorks: a dynamic workflow system designed for high-throughput applications."Concurrency and Computation: Practice and Experience 27.17 (2015) 5037 - 5059. DOI
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