Publications
Publications by Category
X Author: Kristin A Persson
2015
Yan, Qimin, Guo Li, Paul F Newhouse, Jie Yu, Kristin A Persson, John M Gregoire, and Jeffrey B Neaton."MnM2V2O7: An Earth Abundant Light Absorber for Solar Water Splitting."Advanced Energy Materials
5 (2015). DOI
de Jong, Maarten, Wei Chen, Thomas Angsten, Anubhav Jain, Randy Notestine, Anthony C Gamst, Marcel Sluiter, Chaitanya Krishna Ande, Sybrand van der Zwaag, Jose J Plata, Cormac Toher, Stefano Curtarolo, Gerbrand Ceder, Kristin A Persson, and Mark D Asta."Charting the complete elastic properties of inorganic crystalline compounds."Scientific Data
2 (2015). DOI
Shao, Yuyan, Nav Nidhi Rajput, Jianzhi Hu, Mary Hu, Tianbiao Liu, Zhehao Wei, Meng Gu, Xuchu Deng, Suochang Xu, Kee Sung Han, Jiulin Wang, Zimin Nie, Guosheng Li, Kevin R Zavadil, Jie Xiao, Chongmin Wang, Wesley A Henderson, Ji-Guang Zhang, Yong Wang, Karl T Mueller, Kristin A Persson, and Jun Liu."Nanocomposite polymer electrolyte for rechargeable magnesium batteries."Nano Energy
12 (2015) 750-759. DOI
Sun, Wenhao, Saivenkataraman Jayaraman, Wei Chen, Kristin A Persson, and Gerbrand Ceder."Nucleation of metastable aragonite CaCO3 in seawater."Proceedings of the National Academy of Sciences
112 (2015) 3199-3204. DOI
Ding, Hong, Bharat Medasani, Wei Chen, Kristin A Persson, Maciej Haranczyk, and Mark D Asta."PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds."Computer Physics Communications
193 (2015) 118-123. DOI
Liu, Miao, Ziqin Rong, Rahul Malik, Pieremanuele Canepa, Anubhav Jain, Gerbrand Ceder, and Kristin A Persson."Spinel compounds as multivalent battery cathodes: a systematic evaluation based on ab initio calculations."Energy & Environmental Science
8 (2015) 964-974. DOI
Rajput, Nav Nidhi, Xiaohui Qu, Niya Sa, Anthony K Burrell, and Kristin A Persson."The Coupling between Stability and Ion Pair Formation in Magnesium Electrolytes from First-Principles Quantum Mechanics and Classical Molecular Dynamics."Journal of the American Chemical Society
137 (2015) 3411-3420. DOI
Ong, Shyue P, Shreyas Cholia, Anubhav Jain, Miriam Brafman, Dan Gunter, Gerbrand Ceder, and Kristin A Persson."The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles."Computational Materials Science
97 (2015) 209-215. DOI
Cheng, Lei, Rajeev S Assary, Xiaohui Qu, Anubhav Jain, Shyue P Ong, Nav Nidhi Rajput, Kristin A Persson, and Larry A Curtiss."Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening."The Journal of Physical Chemistry Letters
6 (2015) 283-291. DOI
Cheng, Lei, Wei Chen, Martin Kunz, Kristin A Persson, Nobumichi Tamura, Guoying Chen, and Marca M Doeff."Effect of surface microstructure on electrochemical performance of garnet solid electrolytes."ACS Appl Mater Interfaces
7 (2015) 2073-81. DOI
Yu, Jie, Qimin Yan, Wei Chen, Anubhav Jain, Jeffrey B Neaton, and Kristin A Persson."First-principles study of electronic structure and photocatalytic properties of MnNiO3 as an alkaline oxygen-evolution photocatalyst."Chemical Communications
51 (2015) 2867-2870. DOI
2014
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). DOI
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). DOI
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. DOI
Castelli, Ivano E, Falco Hüser, Mohnish Pandey, Hong Li, Kristian S Thygesen, Brian Seger, Anubhav Jain, Kristin A Persson, Gerbrand Ceder, and Karsten W Jacobsen."New Light-Harvesting Materials Using Accurate and Efficient Bandgap Calculations."Advanced Energy Materials
(2014). DOI
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 LiNi0.5Mn1.5O4 for Li-Ion Batteries."Chemistry of Materials
26.15 (2014) 4377-4386. DOI
Lee, Eunseok, and Kristin A Persson."Structural and Chemical Evolution of the Layered Li-Excess LixMnO3 as a Function of Li Content from First-Principles Calculations."Advanced Energy Materials
(2014). DOI
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). DOI
2013
Ceder, Gerbrand, and Kristin A Persson."The Stuff of Dreams."Scientific American
309.6 (2013) 36-40. DOI
Lee, Eunseok, and Kristin A Persson."First-principles study of the nano-scaling effect on the electrochemical behavior in LiNi0.5Mn1.5O4."Nanotechnology
24.42 (2013). DOI
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). DOI
Lee, Eunseok, and Kristin A Persson."Solid-Solution Li Intercalation as a Function of Cation Order/Disorder in the High-Voltage LixNi0.5Mn1.5O4 Spinel."Chemistry of Materials
25.14 (2013) 2885-2889. DOI
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. DOI
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. DOI
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). DOI