Publications
X Author: Kristin A. Persson
2017
Rong, Ziqin, Penghao Xiao, Miao Liu, Wenxuan Huang, Daniel C. Hannah, William Scullin, Kristin A. Persson, and Gerbrand Ceder."Fast Mg 2+ diffusion in Mo 3 (PO 4 ) 3 O for Mg batteries."Chemical Communications
53.57 (2017) 7998 - 8001. DOI
Wills, Lindsay A., Xiaohui Qu, I-Ya Chang, Thomas J. L. Mustard, Douglas A. Keszler, Kristin A. Persson, and Paul Ha-Yeon Cheong."Group additivity-Pourbaix diagrams advocate thermodynamically stable nanoscale clusters in aqueous environments."Nature Communications
8.1 (2017). DOI
Ward, Ashleigh L., Sean E. Doris, Longjun Li, Mark A. Hughes, Xiaohui Qu, Kristin A. Persson, and Brett A. Helms."Materials Genomics Screens for Adaptive Ion Transport Behavior by Redox-Switchable Microporous Polymer Membranes in Lithium–Sulfur Batteries."ACS Central Science
3.5 (2017) 399 - 406. DOI
L.Green, M., C. L. Choi, J. R. Hattrick-Simpers, A. M. Joshi, I. Takeuchi, S. C. Barron, E. Campo, T. Chiang, S. Empedocles, J. M. Gregoire, A. G. Kusne, J. Martin, A. Mehta, Kristin A. Persson, Z. Trautt, J. Van Duren, and A. Zakutayev."Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies."Applied Physics Reviews
4.1 (2017) 011105. DOI
Montoya, Joseph H., and Kristin A. Persson."A high-throughput framework for determining adsorption energies on solid surfaces."npj Computational Materials
3.1 (2017). DOI
Yan, Qimin, Jie Yu, Santosh K. Suram, Lan Zhou, Aniketa Shinde, Paul F. Newhouse, Wei Chen, Guo Li, Kristin A. Persson, John M. Gregoire, and Jeffrey B. Neaton."Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment."Proceedings of the National Academy of Sciences
114.12 (2017) 3040 - 3043. DOI
Gibbs, Zachary M., Francesco Ricci, Guodong Li, Hong Zhu, Kristin A. Persson, Gerbrand Ceder, Geoffroy Hautier, Anubhav Jain, and G. Jeffrey Snyder."Effective mass and Fermi surface complexity factor from ab initio band structure calculations."npj Computational Materials
3.1 (2017). DOI
Canepa, Pieremanuele, Sai Gautam Gopalakrishnan, Daniel C. Hannah, Rahul Malik, Miao Liu, Kevin G. Gallagher, Kristin A. Persson, and Gerbrand Ceder."Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges."Chemical Reviews
117.5 (2017) 4287 - 4341. DOI
Petousis, Ioannis, , David Mrdjenovich, Eric Ballouz, Miao Liu, Donald Winston, Wei Chen, Tanja Graf, Thomas D. Schladt, Kristin A. Persson, and Fritz B. Prinz."High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials."Scientific Data
4.1 (2017). DOI
2016
Niu, Kai-Yang, Miao Liu, Kristin A. Persson, Yu Han, and Haimei Zheng."Strain-Mediated Interfacial Dynamics during Au–PbS Core–Shell Nanostructure Formation."ACS Nano
10.6 (2016) 6235 - 6240. DOI
Jain, Anubhav, Geoffroy Hautier, Shyue Ping Ong, and Kristin A. Persson."New opportunities for materials informatics: Resources and data mining techniques for uncovering hidden relationshipsAbstract."Journal of Materials Research
31.8 (2016) 977 - 994. DOI
Gerber, Laura C. H., Peter D. Frischmann, Frank Y. Fan, Sean E. Doris, Xiaohui Qu, Angelique M. Scheuermann, Kristin A. Persson, Yet-Ming Chiang, and Brett A. Helms."Three-Dimensional Growth of Li 2 S in Lithium–Sulfur Batteries Promoted by a Redox Mediator."Nano Letters
16.1 (2016) 549 - 554. DOI
Medasani, Bharat, Anthony C. Gamst, Hong Ding, Wei Chen, Kristin A. Persson, Mark Asta, Andrew Canning, and Maciej Haranczyk."Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning."npj Computational Materials
2.1 (2016). DOI
Sa, Niya, Nav Nidhi Rajput, Hao Wang, Baris Key, Magali S. Ferrandon, Venkat Srinivasan, Kristin A. Persson, Anthony K. Burrell, and John T. Vaughey."Concentration dependent electrochemical properties and structural analysis of a simple magnesium electrolyte: magnesium bis(trifluoromethane sulfonyl)imide in diglyme."RSC Advances
6.114 (2016) 113663 - 113670. DOI
Han, Kee Sung, Nav Nidhi Rajput, M. Vijayakumar, Xiaoliang Wei, Wei Wang, Jianzhi Hu, Kristin A. Persson, and Karl T. Mueller."Preferential Solvation of an Asymmetric Redox Molecule."The Journal of Physical Chemistry C
120.49 (2016) 27834 - 27839. DOI
Sun, Wenhao, Stephen T. Dacek, Shyue Ping Ong, Geoffroy Hautier, Anubhav Jain, William D. Richards, Anthony C. Gamst, Kristin A. Persson, and Gerbrand Ceder."The thermodynamic scale of inorganic crystalline metastability."Science Advances
2.11 (2016) e1600225. DOI
Liu, Miao, Anubhav Jain, Ziqin Rong, Xiaohui Qu, Pieremanuele Canepa, Rahul Malik, Gerbrand Ceder, and Kristin A. Persson."Evaluation of sulfur spinel compounds for multivalent battery cathode applications."Energy & Environmental Science
9.10 (2016) 3201 - 3209. DOI
Han, Sang-Don, Nav Nidhi Rajput, Xiaohui Qu, Baofei Pan, Meinan He, Magali S. Ferrandon, Chen Liao, Kristin A. Persson, and Anthony K. Burrell."Origin of Electrochemical, Structural, and Transport Properties in Nonaqueous Zinc Electrolytes."ACS Applied Materials & Interfaces
8.5 (2016) 3021 - 3031. DOI
Yoo, Hyun Deog, Sang-Don Han, Ryan D. Bayliss, Andrew A. Gewirth, Bostjan Genorio, Nav Nidhi Rajput, Kristin A. Persson, Anthony K. Burrell, and Jordi Cabana."“Rocking-Chair”-Type Metal Hybrid Supercapacitors."ACS Applied Materials & Interfaces
8.45 (2016) 30853 - 30862. DOI
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). DOI
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. DOI
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. DOI
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. DOI
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. DOI
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. DOI