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2016

Liu, Miao, Anubhav Jain, Ziqin Rong, Xiaohui Qu, Pieremanuele Canepa, Rahul Malik, Gerbrand Ceder, and Kristin A. Persson."Evaluation of sulfur spinel compounds for multivalent battery cathode applications."Energy & Environmental Science 9.10 (2016) 3201 - 3209. DOI
Han, Sang-Don, Nav Nidhi Rajput, Xiaohui Qu, Baofei Pan, Meinan He, Magali S. Ferrandon, Chen Liao, Kristin A. Persson, and Anthony K. Burrell."Origin of Electrochemical, Structural, and Transport Properties in Nonaqueous Zinc Electrolytes."ACS Applied Materials & Interfaces 8.5 (2016) 3021 - 3031. DOI
Yoo, Hyun Deog, Sang-Don Han, Ryan D. Bayliss, Andrew A. Gewirth, Bostjan Genorio, Nav Nidhi Rajput, Kristin A. Persson, Anthony K. Burrell, and Jordi Cabana."“Rocking-Chair”-Type Metal Hybrid Supercapacitors."ACS Applied Materials & Interfaces 8.45 (2016) 30853 - 30862. DOI
Tran, Richard, Zihan Xu, Balachandran Radhakrishnan, Donald Winston, Wenhao Sun, Kristin A. Persson, and Shyue Ping Ong."Surface energies of elemental crystals."Scientific Data 3.1 (2016). DOI
Shin, Yongwoo, and Kristin A. Persson."Surface Morphology and Surface Stability against Oxygen Loss of the Lithium-Excess Li 2 MnO 3 Cathode Material as a Function of Lithium Concentration."ACS Applied Materials & Interfaces 8.38 (2016) 25595 - 25602. DOI
Qu, Xiaohui, and Kristin A. Persson."Toward Accurate Modeling of the Effect of Ion-Pair Formation on Solute Redox Potential."Journal of Chemical Theory and Computation 12.9 (2016) 4501 - 4508. 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
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
Sun, Xiaoqi, Patrick Bonnick, Victor Duffort, Miao Liu, Ziqin Rong, Kristin A. Persson, Gerbrand Ceder, and Linda F. Nazar."A high capacity thiospinel cathode for Mg batteries."Energy & Environmental Science 9.7 (2016) 2273 - 2277. 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
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 Asta, 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
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
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
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
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