Publications

X Author: Kristin A. Persson

2019

Tshitoyan, Vahe, John Dagdelen, Leigh Weston, Alexander Dunn, Ziqin Rong, Olga Kononova, Kristin A. Persson, Gerbrand Ceder, and Anubhav Jain."Unsupervised word embeddings capture latent knowledge from materials science literature."Nature 571.7763 (2019) 95 - 98. DOI(link is external)
Liang, Qiaohao, Shyam Dwaraknath, and Kristin A. Persson."High-throughput computation and evaluation of raman spectra."Scientific Data 6.1 (2019). DOI(link is external)
Horton, Matthew Kristofer, Joseph Harold Montoya, Miao Liu, and Kristin A. Persson."High-throughput prediction of the ground-state collinear magnetic order of inorganic materials using Density Functional Theory."npj Computational Materials 5.1 (2019). DOI(link is external)
Fong, Kara D., Julian Self, Kyle M. Diederichsen, Brandon M. Wood, Bryan D. McCloskey, and Kristin A. Persson."Ion Transport and the True Transference Number in Nonaqueous Polyelectrolyte Solutions for Lithium Ion Batteries."ACS Central Science (2019). DOI(link is external)
Lin, Ruoqian, Enyuan Hu, Mingjie Liu, Yi Wang, Hao Cheng, Jinpeng Wu, Jin-Cheng Zheng, Qin Wu, Seongmin Bak, Xiao Tong, Rui Zhang, Wanli Yang, Kristin A. Persson, Xiqian Yu, Xiao-Qing Yang, and Huolin L. Xin."Anomalous metal segregation in lithium-rich material provides design rules for stable cathode in lithium-ion battery."Nature Communications 10.1 (2019). DOI(link is external)
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(link is external)
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(link is external)
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(link is external)
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(link is external)
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(link is external)
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(link is external)
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(link is external)
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(link is external)
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(link is external)

2018

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(link is external)
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(link is external)
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(link is external)
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(link is external)
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(link is external)
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(link is external)
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(link is external)
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(link is external)
Winter, I. S., J. Montoya, Kristin A. Persson, and D. C. Chrzan."Ab initio calculation of thermal expansion with application to understanding Invar behavior in gum metal."Physical Review Materials 2.7 (2018). DOI(link is external)
Hutchison, Danielle C., Rebecca D. Stern, Morgan R. Olsen, Lev N. Zakharov, Kristin A. Persson, and May Nyman."Alkyltin clusters: the less symmetric Keggin isomers."Dalton Transactions 47.29 (2018) 9804 - 9813. DOI(link is external)
Hahn, Nathan T., Trevor J. Seguin, Ka-Cheong Lau, Chen Liao, Brian J. Ingram, Kristin A. Persson, and Kevin R. Zavadil."Enhanced Stability of the Carba- closo -dodecaborate Anion for High-Voltage Battery Electrolytes through Rational Design."Journal of the American Chemical Society 140.35 (2018) 11076 - 11084. DOI(link is external)