Kristin A Persson

Publications

Viewing 25 of 184 publications

2016

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.

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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).

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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.

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Huck, Patrick, 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." Ed. Silvia Delgado Olabarriaga, Nancy Wilkins-Diehr, Waleed W Smari, Mohamed Bakhouya, Sandro Fiore, and Giovanni Aloisio. Concurrency and Computation: Practice and Experience 28.7 (2016) 1982–1993.

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Chen, Wei, Jan-Hendrik Pöhls, Geoffroy Hautier, Danny Broberg, Saurabh Bajaj, Umut Aydemir, Zachary M Gibbs, Hong Zhu, Mark D 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.

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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.

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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.

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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.

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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.

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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.

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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).

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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.

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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.

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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.

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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).

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Aydemir, Umut, Jan-Hendrik Pöhls, Hong Zhu, Geoffroy Hautier, Saurabh Bajaj, Zachary M Gibbs, Wei Chen, Guodong Li, Saneyuki Ohno, Danny Broberg, Stephen Dongmin Kang, Mark D Asta, Gerbrand Ceder, Mary Anne White, Kristin A Persson, Anubhav Jain, and G Jeffrey Snyder. "YCuTe ₂ : a member of a new class of thermoelectric materials with CuTe ₄ -based layered structure." Journal of Materials Chemistry A 4.7 (2016) 2461–2472.

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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.

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Yan, Aiming, Wei Chen, Colin Ophus, Jim Ciston, Yuyuan Lin, Kristin A Persson, and Alex Zettl. "Identifying different stacking sequences in few-layer CVD-grown." Physical Review B 93.4 (2016).

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Jain, Anubhav, Yongwoo Shin, and Kristin A Persson. "Computational predictions of energy materials using density functional theory." Nature Reviews Materials 1.1 (2016).

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de Jong, Maarten, Wei Chen, Randy Notestine, Kristin A Persson, Gerbrand Ceder, Anubhav Jain, Mark D Asta, and Anthony C Gamst. "A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds." Scientific Reports 6.1 (2016).

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2015

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.

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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.

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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.

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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.

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