Applied Energy Materials Group

Einarsdotter, Kristin, Babak Sadigh, Goran Grimvall, Vidvuds Ozoliņš, and Kristin A Persson. "Phonon Instabilities in fcc and bcc Tungsten." Physical Review Letters 79.11 (1997) 2073–2076.

DOI | Google Scholar | BibTeX | Endnote tagged

Canepa, Pieremanuele, Gopalakrishnan Sai Gautam, Rahul Malik, Saivenkataraman Jayaraman, Ziqin Rong, Kevin R Zavadil, Kristin A Persson, and Gerbrand Ceder. "Understanding the Initial Stages of Reversible Mg Deposition and Stripping in Inorganic Nonaqueous Electrolytes." Chemistry of Materials 27.9 (2015) 3317–3325.

DOI | Google Scholar | BibTeX | Endnote tagged

Gautam, Gopalakrishnan Sai, Pieremanuele Canepa, Rahul Malik, Miao Liu, Kristin A Persson, and Gerbrand Ceder. "First-principles evaluation of multi-valent cation insertion into orthorhombic V₂O₅." Chemical Communications 51.71 (2015) 13619–13622.

DOI | Google Scholar | BibTeX | Endnote tagged

Huck, Patrick, Anubhav Jain, Dan Gunter, Donald Winston, and Kristin A Persson. "A Community Contribution Framework for Sharing Materials Data with Materials Project." 2015 IEEE 11th International Conference on e-Science (e-Science)2015 IEEE 11th International Conference on e-Science. Munich, Germany: IEEE, 2015.

Cheng, Lei, Cheng Hao Wu, Angelique Jarry, Wei Chen, Yifan Ye, Junfa Zhu, Robert Kostecki, Kristin A Persson, Jinghua Guo, Miquel Salmeron, Guoying Chen, and Marca M Doeff. "Interrelationships among Grain Size, Surface Composition, Air Stability, and Interfacial Resistance of Al-Substituted LiLa." ACS Applied Materials & Interfaces 7.32 (2015) 17649–17655.

DOI | Google Scholar | BibTeX | Endnote tagged

de Jong, Maarten, Wei Chen, Henry Geerlings, Mark D Asta, and Kristin A Persson. "A database to enable discovery and design of piezoelectric materials." Scientific Data 2.1 (2015).

DOI | Google Scholar | BibTeX | Endnote tagged

Rong, Ziqin, Rahul Malik, Pieremanuele Canepa, Sai Gautam Gopalakrishnan, Miao Liu, Anubhav Jain, Kristin A Persson, and Gerbrand Ceder. "Materials Design Rules for Multivalent Ion Mobility in Intercalation Structures." Chemistry of Materials 27.17 (2015) 6016–6021.

DOI | Google Scholar | BibTeX | Endnote tagged

Canepa, Pieremanuele, Saivenkataraman Jayaraman, Lei Cheng, Nav Nidhi Rajput, William D Richards, Gopalakrishnan Sai Gautam, Larry A Curtiss, Kristin A Persson, and Gerbrand Ceder. "Elucidating the structure of the magnesium aluminum chloride complex electrolyte for magnesium-ion batteries." Energy & Environmental Science 8.12 (2015) 3718–3730.

DOI | Google Scholar | BibTeX | Endnote tagged

Frischmann, Peter D, Laura C. H Gerber, Sean E Doris, Erica Y Tsai, Frank Y Fan, Xiaohui Qu, Anubhav Jain, Kristin A Persson, Yet-Ming Chiang, and Brett A Helms. "Supramolecular Perylene Bisimide-Polysulfide Gel Networks as Nanostructured Redox Mediators in Dissolved Polysulfide Lithium–Sulfur Batteries." Chemistry of Materials 27.19 (2015) 6765–6770.

DOI | Google Scholar | BibTeX | Endnote tagged

Jain, Anubhav, Shyue Ping Ong, Wei Chen, Bharat Medasan, Xiaohui Qu, Michael Kocher, Miriam Brafman, Guido Petretto, Gian-Marco Rignanese, Geoffroy Hautier, Daniel Gunter, and Kristin A Persson. "FireWorks: a dynamic workflow system designed for high-throughput applications." Concurrency and Computation: Practice and Experience 27.17 (2015) 5037–5059.

DOI | Google Scholar | BibTeX | Endnote tagged

Zhu, Hong, Geoffroy Hautier, Umut Aydemir, Zachary M Gibbs, Guodong Li, Saurabh Bajaj, Jan-Hendrik Pöhls, Danny Broberg, Wei Chen, Anubhav Jain, Mary Anne White, Mark D Asta, G Jeffrey Snyder, Kristin A Persson, and Gerbrand Ceder. "Computational and experimental investigation of TmAgTe ₂ and XYZ ₂ compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening." Journal of Materials Chemistry C 3.40 (2015) 10554–10565.

DOI | Google Scholar | BibTeX | Endnote tagged

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 | Google Scholar | BibTeX | Endnote tagged

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 | Google Scholar | BibTeX | Endnote tagged

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 | Google Scholar | BibTeX | Endnote tagged

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 | Google Scholar | BibTeX | Endnote tagged

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 | Google Scholar | BibTeX | Endnote tagged

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 | Google Scholar | BibTeX | Endnote tagged

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 | Google Scholar | BibTeX | Endnote tagged

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 | Google Scholar | BibTeX | Endnote tagged

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 | Google Scholar | BibTeX | Endnote tagged