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2019

Seguin, Trevor J, Nathan T Hahn, Kevin R Zavadil, and Kristin A Persson."Elucidating Non-aqueous Solvent Stability and Associated Decomposition Mechanisms for Mg Energy Storage Applications From First-PrinciplesTable."Frontiers in Chemistry 7 (2019). DOI
Xiao, Haiqing, Tianyue Zheng, Gao Liu, Hongwei Wang, Hong Bai, Yanling Fu, Ziqiang Tao, Nianpeng Si, and Hua Bai."Study on the Fading Mechanism of SiO-based Anodes Using Styrene Butadiene Rubber and Carboxymethyl Cellulose as Binders for Lithium-ion Batteries."IOP Conference Series: Earth and Environmental Science 242 (2019) 042014. DOI
Lau, Ka-Cheong, Trevor J Seguin, Emily V Carino, Nathan T Hahn, Justin G Connell, Brian J Ingram, Kristin A Persson, Kevin R Zavadil, and Chen Liao."Widening Electrochemical Window of Mg Salt by Weakly Coordinating Perfluoroalkoxyaluminate Anion for Mg Battery Electrolyte."Journal of The Electrochemical Society 166.8 (2019) A1510 - A1519. DOI
Vieten, Josua, Brendan Bulfin, Patrick Huck, Matthew Horton, Dorottya Guban, Liya Zhu, Youjun Lu, Kristin A Persson, Martin Roeb, and Christian Sattler."Materials design of perovskite solid solutions for thermochemical applications."Energy & Environmental Science 12.4 (2019) 1369 - 1384. DOI
Dai, Kehua, Jinpeng Wu, Zengqing Zhuo, Qinghao Li, Shawn Sallis, Jing Mao, Guo Ai, Chihang Sun, Zaiyuan Li, William E Gent, William C Chueh, Yi- de Chuang, Rong Zeng, Zhi-xun Shen, Feng Pan, Shishen Yan, Louis F.J Piper, Zahid Hussain, Gao Liu, and Wanli Yang."High Reversibility of Lattice Oxygen Redox Quantified by Direct Bulk Probes of Both Anionic and Cationic Redox Reactions."Joule 3.2 (2019) 518 - 541. DOI
Andersen, Amity, Nav Nidhi Rajput, Kee Sung Han, Huilin Pan, Niranjan Govind, Kristin A Persson, Karl T Mueller, and Vijayakumar Murugesan."Structure and Dynamics of Polysulfide Clusters in a Nonaqueous Solvent Mixture of 1,3-Dioxolane and 1,2-Dimethoxyethane."Chemistry of Materials 31.7 (2019) 2308 - 2319. DOI
Zhou, Jun, Lei Shen, Miguel Dias Costa, Kristin A Persson, Shyue Ping Ong, Patrick Huck, Yunhao Lu, Xiaoyang Ma, Yiming Chen, Hanmei Tang, and Yuan Ping Feng."2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches."Scientific Data 6.1 (2019). DOI
Wang, Qi, and Anubhav Jain."A transferable machine-learning framework linking interstice distribution and plastic heterogeneity in metallic glasses."Nature Communications 10.1 (2019). DOI
Kuo, Jimmy Jiahong, Umut Aydemir, Jan-Hendrik Pöhls, Fei Zhou, Guodong Yu, Alireza Faghaninia, Francesco Ricci, Mary Anne White, Gian-Marco Rignanese, Geoffroy Hautier, Anubhav Jain, and G. G Jeffrey Snyder."Origins of ultralow thermal conductivity in 1-2-1-4 quaternary selenides."Journal of Materials Chemistry A 7.6 (2019) 2589 - 2596. DOI
Singh, Arunima K, Joseph H Montoya, John M Gregoire, and Kristin A Persson."Robust and synthesizable photocatalysts for CO2 reduction: a data-driven materials discovery."Nature Communications 10.1 (2019). DOI
Cao, Chuntian, Iwnetim Iwnetu Abate, Eric Sivonxay, Badri Shyam, Chunjing Jia, Brian Moritz, Thomas P Devereaux, Kristin A Persson, Hans-Georg Steinrück, and Michael F Toney."Solid Electrolyte Interphase on Native Oxide-Terminated Silicon Anodes for Li-Ion Batteries."Joule 3.3 (2019) 762 - 781. DOI
Garten, Lauren M, David T Moore, Sanjini U Nanayakkara, Shyam S Dwaraknath, Philip Schulz, Jake Wands, Angus Rockett, Brian Newell, Kristin A Persson, Susan Trolier-McKinstry, and David S Ginley."The existence and impact of persistent ferroelectric domains in MAPbI 3."Science Advances 5.1 (2019) eaas9311. DOI
Nanda, Jagjit, Guang Yang, Tingzheng Hou, Dmitry N Voylov, Xin Li, Rose E Ruther, Michael Naguib, Kristin A Persson, Gabriel M Veith, and Alexei P Sokolov."Unraveling the Nanoscale Heterogeneity of Solid Electrolyte Interphase Using Tip-Enhanced Raman Spectroscopy."Joule (2019). DOI

2018

Zhao, Hui, Yang Wei, Cheng Wang, Ruimin Qiao, Wanli Yang, Phillip B Messersmith, and Gao Liu."Mussel-Inspired Conductive Polymer Binder for Si-Alloy Anode in Lithium-Ion Batteries."ACS Applied Materials & Interfaces 10.6 (2018) 5440 - 5446. DOI
Bassman, Lindsay, Pankaj Rajak, Rajiv K Kalia, Nakano Aiichiro, Sha Fei, Jifeng Sun, David J Singh, Muratahan Aykol, Patrick Huck, Kristin A Persson, and Priya Vashishta."Active learning for accelerated design of layered materials."npj Computational Materials 4.1 (2018). DOI
Gao, Ximei, Guobin Zhu, Qunting Qu, Gao Liu, Vincent S Battaglia, and Honghe Zheng."Effects of Room Ionic Liquid as Solute on the Electrolyte Solution Structure and Electrochemical Performances in Ethylene Carbonate-Based Electrolyte."Journal of The Electrochemical Society 165.16 (2018) A3844 - A3853. DOI
Shin, Yongwoo, Wang Hay Kan, Muratahan Aykol, Joseph K Papp, Bryan D McCloskey, Guoying Chen, and Kristin A Persson."Alleviating oxygen evolution from Li-excess oxide materials through theory-guided surface protection."Nature Communications 9.1 (2018). DOI
Cheng, Lei, Miao Liu, Apurva Mehta, Huolin L Xin, Feng Lin, Kristin A Persson, Guoying Chen, Ethan J Crumlin, and Marca M Doeff."Garnet Electrolyte Surface Degradation and Recovery."ACS Applied Energy Materials 1.12 (2018) 7244 - 7252. DOI
Woods-Robinson, Rachel, Danny Broberg, Alireza Faghaninia, Anubhav Jain, Shyam S Dwaraknath, and Kristin A Persson."Assessing High-Throughput Descriptors for Prediction of Transparent Conductors."Chemistry of Materials 30.22 (2018) 8375 - 8389. DOI
Pöhls, Jan-Hendrik, Zhe Luo, Umut Aydemir, Jon-Paul Sun, Shiqiang Hao, Jiangang He, Ian G Hill, Geoffroy Hautier, Anubhav Jain, Xiaoqin Zeng, Chris Wolverton, G. G Jeffrey Snyder, Hong Zhu, and Mary Anne White."First-principles calculations and experimental studies of XYZ2 thermoelectric compounds: detailed analysis of van der Waals interactions."Journal of Materials Chemistry A 6.40 (2018) 19502 - 19519. DOI
Diederichsen, Kyle M, Kara D Fong, Rickey C Terrell, Kristin A Persson, and Bryan D McCloskey."Investigation of Solvent Type and Salt Addition in High Transference Number Nonaqueous Polyelectrolyte Solutions for Lithium Ion Batteries."Macromolecules 51.21 (2018) 8761 - 8771. DOI
Deng, Changjian, Paige Skinner, Yuzi Liu, Meiling Sun, Wei Tong, Chunrong Ma, Miu Lun Lau, Riley Hunt, Pete Barnes, Jing Xu, and Hui Xiong."Li-Substituted Layered Spinel Cathode Material for Sodium Ion Batteries."Chemistry of Materials 30.22 (2018) 8145 - 8154. DOI
Xu, Yun, Caleb Stetson, Kevin Wood, Eric Sivonxay, Chunsheng Jiang, Glenn Teeter, Svitlana Pylypenko, Sang-Don Han, Kristin A Persson, Anthony Burrell, and Andriy Zakutayev."Mechanical Properties and Chemical Reactivity of Li x SiO y Thin Films."ACS Applied Materials & Interfaces 10.44 (2018) 38558 - 38564. DOI
Zhou, Lan, Aniketa Shinde, Joseph H Montoya, Arunima K Singh, Sheraz Gul, Junko Yano, Yifan Ye, Ethan J Crumlin, Matthias H Richter, Jason K Coope, Helge S Stein, Joel A Haber, Kristin A Persson, and John M Gregoire."Rutile Alloys in the Mn–Sb–O System Stabilize Mn 3+ To Enable Oxygen Evolution in Strong Acid."ACS Catalysis 8.12 (2018) 10938 - 10948. DOI
Ye, Weike, Chi Chen, Shyam S Dwaraknath, Anubhav Jain, Shyue Ping Ong, and Kristin A Persson."Harnessing the Materials Project for machine-learning and accelerated discoveryAbstract."MRS Bulletin 43.9 (2018) 664 - 669. DOI