Publications
Publications by Category
2016
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
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
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
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. 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
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. DOI
Toma, Francesca M, Jason K Cooper, Viktoria Kunzelmann, Matthew T McDowell, Jie Yu, David M Larson, Nicholas J Borys, Christine Abelyan, Jeffrey W Beeman, Kin Man Yu, Jinhui Yang, Le Chen, Matthew R Shaner, Joshua Spurgeon, Frances A Houle, Kristin A Persson, and Ian D Sharp."Mechanistic insights into chemical and photochemical transformations of bismuth vanadate photoanodes."Nature Communications
7.1 (2016). DOI
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). DOI
Chen, Wei, Jan-Hendrik Pöhls, Geoffroy Hautier, Danny Broberg, Saurabh Bajaj, Umut Aydemir, Zachary M Gibbs, Hong Zhu, Mark D Asta, G. 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. DOI
Olabarriaga, Silvia Delgado, Nancy Wilkins-Diehr, Waleed W Smari, Mohamed Bakhouya, Sandro Fiore, Giovanni Aloisio, Patrick Huck, 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."Concurrency and Computation: Practice and Experience
28.7 (2016) 1982 - 1993. DOI
Roy, Prabir K, Stephen Taller, Ovidiu Toader, Fabian Naab, Shyam Dwaraknath, and Gary S Was."A Multi-Pinhole Faraday Cup Device for Measurement of Discrete Charge Distribution of Heavy and Light Ions."IEEE Transactions on Nuclear Science
63.2 (2016) 854 - 860. DOI
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. DOI
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. DOI
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. DOI
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). DOI
Liu, Tiefeng, Bo Wang, Xingxing Gu, Lei Wang, Min Ling, Gao Liu, Dianlong Wang, and Shanqing Zhang."All-climate sodium ion batteries based on the NASICON electrode materials."Nano Energy
30 (2016) 756 - 761. DOI
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). DOI
Jain, Anubhav, Yongwoo Shin, and Kristin A Persson."Computational predictions of energy materials using density functional theory."Nature Reviews Materials
1.1 (2016). DOI
Zhao, Hui, Allen Du, Min Ling, Vincent S Battaglia, and Gao Liu."Conductive polymer binder for nano-silicon/graphite composite electrode in lithium-ion batteries towards a practical application."Electrochimica Acta
209 (2016) 159 - 162. DOI
Zhao, Hui, Yanbao Fu, Min Ling, Zhe Jia, Xiangyun Song, Zonghai Chen, Jun Lu, Khalil Amine, and Gao Liu."Conductive Polymer Binder-Enabled SiO–Snx CoyCzAnode for High-Energy Lithium-Ion Batteries."ACS Applied Materials & Interfaces
8.21 (2016) 13373 - 13377. DOI