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2016

Ai, Guo, Yiling Dai, Wenfeng Mao, Hui Zhao, Yanbao Fu, Xiangyun Song, Yunfei En, Vincent S Battaglia, Venkat Srinivasan, and Gao Liu."Biomimetic Ant-Nest Electrode Structures for High Sulfur Ratio Lithium–Sulfur Batteries."Nano Letters 16.9 (2016) 5365 - 5372. DOI
Zhao, Hui, Qing Yang, Neslihan Yuca, Min Ling, Kenneth Higa, Vincent S Battaglia, Dilworth Y Parkinson, Venkat Srinivasan, and Gao Liu."A Convenient and Versatile Method To Control the Electrode Microstructure toward High-Energy Lithium-Ion Batteries."Nano Letters 16.7 (2016) 4686 - 4690. DOI
Mao, Jing, Kehua Dai, Minjie Xuan, Guosheng Shao, Ruimin Qiao, Wanli Yang, Vincent S Battaglia, and Gao Liu."Effect of Chromium and Niobium Doping on the Morphology and Electrochemical Performance of High-Voltage Spinel LiNi0.5Mn1.5O4 Cathode Material."ACS Applied Materials & Interfaces 8.14 (2016) 9116 - 9124. DOI
Gerber, Laura C. H, Peter D Frischmann, Frank Y Fan, Sean E Doris, Xiaohui Qu, Angelique M Scheuermann, Kristin A Persson, Yet-Ming Chiang, and Brett A Helms."Three-Dimensional Growth of Li 2 S in Lithium–Sulfur Batteries Promoted by a Redox Mediator."Nano Letters 16.1 (2016) 549 - 554. DOI
Medasani, Bharat, Anthony C Gamst, Hong Ding, Wei Chen, Kristin A Persson, Mark D Asta, Andrew Canning, and Maciej Haranczyk."Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning."npj Computational Materials 2.1 (2016). DOI
Sa, Niya, Nav Nidhi Rajput, Hao Wang, Baris Key, Magali S Ferrandon, Venkat Srinivasan, Kristin A Persson, Anthony K Burrell, and John T Vaughey."Concentration dependent electrochemical properties and structural analysis of a simple magnesium electrolyte: magnesium bis(trifluoromethane sulfonyl)imide in diglyme."RSC Advances 6.114 (2016) 113663 - 113670. DOI
Feng, Caihong, Xianpu Meng, Xiaolu Song, Xueting Feng, Yun Zhao, and Gao Liu."Controllable synthesis of hierarchical CuS/ZnS hetero-nanowires as high-performance visible-light photocatalysts."RSC Advances 6.111 (2016) 110266 - 110273. DOI
Han, Kee Sung, Nav Nidhi Rajput, M Vijayakumar, Xiaoliang Wei, Wei Wang, Jianzhi Hu, Kristin A Persson, and Karl T Mueller."Preferential Solvation of an Asymmetric Redox Molecule."The Journal of Physical Chemistry C 120.49 (2016) 27834 - 27839. DOI
Sun, Wenhao, Stephen T Dacek, Shyue Ping Ong, Geoffroy Hautier, Anubhav Jain, William D Richards, Anthony C Gamst, Kristin A Persson, and Gerbrand Ceder."The thermodynamic scale of inorganic crystalline metastability."Science Advances 2.11 (2016) e1600225. DOI
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
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
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