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2016

Ding, Hong, Shyam S Dwaraknath, Lauren Garten, Paul Ndione, David Ginley, and Kristin A Persson."Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection."ACS Applied Materials & Interfaces 8.20 (2016) 13086 - 13093. DOI
Ray, Promit, Sebastian Dohm, Tamara Husch, Christoph Shutter, Kristin A Persson, Andrea Balducci, Barbara Kirchner, and Martin Korth."Insights into Bulk Electrolyte Effects on the Operative Voltage of Electrochemical Double-Layer Capacitors."The Journal of Physical Chemistry C 120.23 (2016) 12325 - 12336. DOI
Sa, Niya, Hao Wang, Danielle L Proffit, Albert L Lipson, Baris Key, Miao Liu, Zhenxing Feng, Timothy T Fister, Yang Ren, Cheng-Jun Sun, John T Vaughey, Paul A Fenter, Kristin A Persson, and Anthony K Burrell."Is alpha-V2O5 a cathode material for Mg insertion batteries?."Journal of Power Sources 323 (2016) 44 - 50. DOI
Hill, Joanne, Gregory Mulholland, Kristin A Persson, Ram Seshadri, Chris Wolverton, and Bryce Meredig."Materials science with large-scale data and informatics: Unlocking new opportunitiesAbstract."MRS Bulletin 41.5 (2016) 399 - 409. DOI
Toma, Francesca M, Jason K Cooper, Viktoria Kunzelmann, Matthew T McDowell, Jie Yu, David M Larson, Nicholas J Borys, Christine Abelyan, Jeffrey W Beeman, Kin Man Yu, Jinhui Yang, Le Chen, Matthew R Shaner, Joshua Spurgeon, Frances A Houle, Kristin A Persson, and Ian D Sharp."Mechanistic insights into chemical and photochemical transformations of bismuth vanadate photoanodes."Nature Communications 7.1 (2016). DOI
Jain, Anubhav, Kristin A Persson, and Gerbrand Ceder."Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases."APL Materials 4.5 (2016). DOI
Chen, Wei, Jan-Hendrik Pöhls, Geoffroy Hautier, Danny Broberg, Saurabh Bajaj, Umut Aydemir, Zachary M Gibbs, Hong Zhu, Mark D Asta, G. G Jeffrey Snyder, Bryce Meredig, Mary Anne White, Kristin A Persson, and Anubhav Jain."Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment."Journal of Materials Chemistry C 4.20 (2016) 4414 - 4426. DOI
Olabarriaga, Silvia Delgado, Nancy Wilkins-Diehr, Waleed W Smari, Mohamed Bakhouya, Sandro Fiore, Giovanni Aloisio, Patrick Huck, Daniel Gunter, Shreyas Cholia, Donald Winston, Alpha T N'Diaye, and Kristin A Persson."User applications driven by the community contribution framework MPContribs in the Materials Project."Concurrency and Computation: Practice and Experience 28.7 (2016) 1982 - 1993. DOI
Roy, Prabir K, Stephen Taller, Ovidiu Toader, Fabian Naab, Shyam Dwaraknath, and Gary S Was."A Multi-Pinhole Faraday Cup Device for Measurement of Discrete Charge Distribution of Heavy and Light Ions."IEEE Transactions on Nuclear Science 63.2 (2016) 854 - 860. DOI
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