Kristin A Persson

Publications

Viewing 25 of 178 publications

2003

Curtarolo, Stefano, Dane Morgan, Kristin A Persson, John Rodgers, and Gerbrand Ceder. "Predicting Crystal Structures with Data Mining of Quantum Calculations." Physical Review Letters 91 (2003).

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2000

Ekman, Mathias, Kristin A Persson, and Goran Grimvall. "Lattice dynamics and thermodynamic properties of the B-Sn phase in Si." Physical Review B 62 (2000) 14784–14789.

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Ekman, Mathias, Kristin A Persson, and Goran Grimvall. "Phase diagram and lattice instability in tungsten-rhenium alloys." Journal of Nuclear Materials 278 (2000) 273–276.

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2013

Wu, Yabi, Predrag Lazic, Geoffroy Hautier, Kristin A Persson, and Gerbrand Ceder. "First principles high throughput screening of oxynitrides for water-splitting photocatalysts." Energy & Environmental Science 6.1 (2013) 157–168.

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Tahir, Nadeem, Altaf Karim, Kristin A Persson, Syed T Hussain, Alejandro G Cruz, Muhammad Usman, Muhammad Naeem, Ruimin Qiao, Wanli Yang, and Yi- De Chuang. "Surface Defects: Possible Source of Room Temperature Ferromagnetism in Co-Doped ZnO Nanorods." The Journal of Physical Chemistry C 117.17 (2013) 8968–8973.

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Ong, Shyue P, William D Richards, Anubhav Jain, Geoffroy Hautier, Michael Kocher, Shreyas Cholia, Dan Gunter, Vincent L Chevrier, Kristin A Persson, and Gerbrand Ceder. "Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis." Computational Materials Science 68 (2013) 314–319.

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Lee, Eunseok, and Kristin A Persson. "First-principles study of the nano-scaling effect on the electrochemical behavior in LiNi_0.5Mn_1.5O₄." Nanotechnology 24.42 (2013).

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Lee, Eunseok, and Kristin A Persson. "Solid-Solution Li Intercalation as a Function of Cation Order/Disorder in the High-Voltage Li_xNi_0.5Mn_1.5O₄ Spinel." Chemistry of Materials 25.14 (2013) 2885–2889.

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Jain, Anubhav, Shyue P Ong, Geoffroy Hautier, Wei Chen, William D Richards, Stephen Dacek, Shreyas Cholia, Dan Gunter, David Skinner, Gerbrand Ceder, and Kristin A Persson. "Commentary: The Materials Project: A materials genome approach to accelerating materials innovation." APL Materials 1.1 (2013).

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Karim, Altaf, Sonia Fosse, and Kristin A Persson. "Surface structure and equilibrium particle shape of the LiMn₂O₄ spinel from first-principles calculations." Physical Review B 87.7 (2013).

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2009

Tang, Lei, Byungchan Han, Kristin A Persson, Cody Friesen, Ting He, Karl Sieradzki, and Gerbrand Ceder. "Electrochemical stability of nanometer-scale Pt particles in acidic environments." Journal of the American Chemical Society 132.2 (2009) 596–600.

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2014

Qiao, Ruimin, Ivan T Lucas, Altaf Karim, Jaroslaw S Syzdek, Xiaosong Liu, Wei Chen, Kristin A Persson, Robert Kostecki, and Wanli Yang. "Distinct Solid-Electrolyte-Interphases on Sn (100) and (001) Electrodes Studied by Soft X-Ray Spectroscopy." Advanced Materials Interfaces (2014).

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Lee, Eunseok, and Kristin A Persson. "Structural and Chemical Evolution of the Layered Li-Excess Li_xMnO₃ as a Function of Li Content from First-Principles Calculations." Advanced Energy Materials (2014).

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Kim, Jung-Hyun, Ashfia Huq, Miaofang Chi, Nicholas P. W Pieczonka, Eunseok Lee, Craig A Bridges, Misle M Tessema, Arumugam Manthiram, Kristin A Persson, and Bob R Powell. "Integrated Nano-Domains of Disordered and Ordered Spinel Phases in LiNi_0.5Mn_1.5O₄ for Li-Ion Batteries." Chemistry of Materials 26.15 (2014) 4377–4386.

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Lapidus, Saul H, Nav Nidhi Rajput, Xiaohui Qu, Karena W Chapman, Kristin A Persson, and Peter J Chupas. "Solvation structure and energetics of electrolytes for multivalent energy storage." Physical Chemistry Chemical Physics (2014).

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Han, Kee Sung, Nav Nidhi Rajput, Xiaoliang Wei, Wei Wang, Jian Z Hu, Kristin A Persson, and Karl T Mueller. "Diffusional motion of redox centers in carbonate electrolytes." The Journal of Chemical Physics 141.10 (2014).

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Cheng, Lei, Ethan J Crumlin, Chen Wei, Ruimin Qiao, Hou Huaming, Simon F Lux, Vassilia Zorba, Richard E Russo, Robert Kostecki, Zhi Liu, Kristin A Persson, Wanli Yang, Jordi Cabana, Thomas J Richardson, Guoying Chen, and Marca M Doeff. "The origin of high electrolyte–electrode interfacial resistances in lithium cells containing garnet type solid electrolytes." Physical Chemistry Chemical Physics 16.34 (2014) 18294–18300.

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2012

Persson, Kristin A, Bryn Waldwick, Predrag Lazic, and Gerbrand Ceder. "Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states." Physical Review B 85.23 (2012).

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Lee, Eunseok, and Kristin A Persson. "Revealing the coupled cation interactions behind the electrochemical profile of Li_xNi_0.5Mn_1.5O₄." Energy & Environmental Science 5.3 (2012) 6047–6051.

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Lee, Eunseok, and Kristin A Persson. "Li absorption and intercalation in single layer graphene and few layer graphene by first principles." Nano letters 12.9 (2012) 4624–4628.

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Grimvall, Göran, Blanka Magyari-Köpe, Vidvuds Ozoliņš, and Kristin A Persson. "Lattice instabilities in metallic elements." Reviews of Modern Physics 84.2 (2012).

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Gunter, Dan, Shreyas Cholia, Anubhav Jain, Michael Kocher, Kristin A Persson, Lavanya Ramakrishnan, Shyue P Ong, and Gerbrand Ceder. "Community Accessible Datastore of High-Throughput Calculations: Experiences from the Materials Project." High Performance Computing, Networking, Storage and Analysis (SCC) 2012. IEEE, 2012. 1244–1251.

2010

Persson, Kristin A, Yoyo Hinuma, Ying Shirley Meng, Anton Van der Ven, and Gerbrand Ceder. "Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations." Physical Review B 82.12-15 (2010) 125416.

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Persson, Kristin A, Vijay A Sethuraman, Laurence J Hardwick, Yoyo Hinuma, Ying Shirley Meng, Anton Van der Ven, Venkat Srinivasan, Robert Kostecki, and Gerbrand Ceder. "Lithium diffusion in graphitic carbon." The Journal of Physical Chemistry Letters 1.8 (2010) 1176–1180.

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2011

Jain, Anubhav, Geoffroy Hautier, Shyue P Ong, Charles J Moore, Christopher C Fischer, Kristin A Persson, and Gerbrand Ceder. "Formation enthalpies by mixing GGA and GGA+ U calculations." Physical Review B 84.4 (2011).

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