Publications

2018

Chen, Xiang, Tingzheng Hou, Kristin A Persson, and Qiang Zhang."Combining theory and experiment in lithium–sulfur batteries: Current progress and future perspectives."Materials Today 22 (2018) 142 - 158. DOI
Fernandes, Luis L, Eleanor S Lee, Darryl J Dickerhoff, Anothai Thanachareonkit, Taoning Wang, and Christoph Gehbauer."Electrochromic Window Demonstration at the John E. Moss Federal Building, 650 Capitol Mall, Sacramento, California." (2018).
Weng, Lien-Chun, Alexis T Bell, and Adam Z Weber."Modeling gas-diffusion electrodes for CO 2 reduction."Physical Chemistry Chemical Physics 20.25 (2018) 16973 - 16984. DOI
Ruan, Yanli, Jingjing Liu, Shidong Song, Ningyi Jiang, and Vincent S Battaglia."Multi-hierarchical nanosheet-assembled chrysanthemum-structured Na3V2(PO4)3/C as electrode materials for high-performance sodium-ion batteries."Ionics 24.6 (2018) 1663 - 1673. DOI
Corson, Elizabeth R, Erin B Creel, Youngsang Kim, Jeffrey J Urban, Robert Kostecki, and Bryan D McCloskey."A temperature-controlled photoelectrochemical cell for quantitative product analysis."Review of Scientific Instruments 89.5 (2018) 055112. DOI
Tabor, Daniel P, Loïc M Roch, Semion K Saikin, Christoph Kreisbeck, Dennis Sheberla, Joseph H Montoya, Shyam S Dwaraknath, Muratahan Aykol, Carlos Ortiz, Hermann Tribukait, Carlos Amador-Bedolla, Christoph J Brabec, Benji Maruyama, Kristin A Persson, and Alán Aspuru-Guzik."Accelerating the discovery of materials for clean energy in the era of smart automation."Nature Reviews Materials 3.5 (2018) 5 - 20. DOI
Freedman, Justin P, Hao Wang, and Ravi S Prasher."Analysis of Nanofluid-Based Parabolic Trough Collectors for Solar Thermal Applications."Journal of Solar Energy Engineering 140.5 (2018) 051008. DOI
Kitchaev, Daniil A, Zhengyan Lun, William D Richards, Huiwen Ji, Raphaële J Clément, Mahalingam Balasubramanian, Deok-Hwang Kwon, Kehua Dai, Joseph K Papp, Teng Lei, Bryan D McCloskey, Wanli Yang, Jinhyuk Lee, and Gerbrand Ceder."Design principles for high transition metal capacity in disordered rocksalt Li-ion cathodes."Energy & Environmental Science 11.8 (2018) 2159 - 2171. DOI
Petretto, Guido, Shyam S Dwaraknath, Henrique P.C Miranda, Donald Winston, Matteo Giantomassi, Michiel J van Setten, Xavier Gonze, Kristin A Persson, Geoffroy Hautier, and Gian-Marco Rignanese."High-throughput density-functional perturbation theory phonons for inorganic materials."Scientific Data 5 (2018) 180065. DOI
Li, Juan, Xinyue Zhang, Zhiwei Chen, Siqi Lin, Wen Li, Jiahong Shen, Ian T Witting, Alireza Faghaninia, Yue Chen, Anubhav Jain, Lidong Chen, G. G Jeffrey Snyder, and Yanzhong Pei."Low-Symmetry Rhombohedral GeTe Thermoelectrics."Joule 2.5 (2018) 976 - 987. DOI
Ward, Logan, Alexander Dunn, Alireza Faghaninia, Nils E. R Zimmermann, Saurabh Bajaj, Qi Wang, Joseph Montoya, Jiming Chen, Kyle Bystrom, Maxwell Dylla, Kyle Chard, Mark D Asta, Kristin A Persson, G. G Jeffrey Snyder, Ian Foster, and Anubhav Jain."Matminer: An open source toolkit for materials data mining."Computational Materials Science 152 (2018) 60 - 69. DOI
Tucker, Michael C."Personal power using metal-supported solid oxide fuel cells operated in a camping stove flame."International Journal of Hydrogen Energy 43.18 (2018) 8991 - 8998. DOI
Garten, Lauren M, Shyam S Dwaraknath, Julian Walker, John S Mangum, Paul F Ndione, Yoonsang Park, Daniel A Beaton, Venkatraman Gopalan, Brian P Gorman, Laura T Schelhas, Michael F Toney, SusanTrolier ‐McKinstry, Kristin A Persson, and David S Ginley."Theory‐Guided Synthesis of a Metastable Lead‐Free Piezoelectric Polymorph."Advanced Materials 30.25 (2018) 1800559. DOI
Hu, Jian Zhi, Nav Nidhi Rajput, Chuan Wan, Yuyan Shao, Xuchu Deng, Nicholas R Jaegers, Mary Hu, Yingwen Chen, Yongwoo Shin, Joshua Monk, Zhong Chen, Zhaohai Qin, Karl Todd Mueller, Jun Liu, and Kristin A Persson."25Mg NMR and computational modeling studies of the solvation structures and molecular dynamics in magnesium based liquid electrolytes."Nano Energy 46 (2018) 436 - 446. DOI
Rajput, Nav Nidhi, Trevor J Seguin, Brandon M Wood, Xiaohui Qu, and Kristin A Persson."Elucidating Solvation Structures for Rational Design of Multivalent Electrolytes—A Review."Topics in Current Chemistry 376.3 (2018). DOI
Yang, Siming, Yuanyuan Gu, Qunting Qu, Guobin Zhu, Gao Liu, Vincent S Battaglia, and Honghe Zheng."Engineered Si@alginate microcapsule-graphite composite electrode for next generation high-performance lithium-ion batteries."Electrochimica Acta 270 (2018) 480 - 489. DOI
Chu, Iek-heng, Sayan Roychowdhury, Daehui Han, Anubhav Jain, and Shyue Ping Ong."Predicting the volumes of crystals."Computational Materials Science 146 (2018) 184 - 192. DOI
Lee, Jinhyuk, Daniil A Kitchaev, Deok-Hwang Kwon, Chang-Wook Lee, Joseph K Papp, Yi-Sheng Liu, Zhengyan Lun, Raphaële J Clément, Tan Shi, Bryan D McCloskey, Jinghua Guo, Mahalingam Balasubramanian, and Gerbrand Ceder."Reversible Mn2+/Mn4+ double redox in lithium-excess cathode materials."Nature 556.7700 (2018) 185 - 190. DOI
Fang, Yingchun, Yudai Huang, Wei Tong, Yanjun Cai, Xingchao Wang, Yong Guo, Dianzeng Jia, and Jun Zong."Synthesis of hollow peanut-like hierarchical mesoporous LiNi 1/3 Co 1/3 Mn 1/3 O2 cathode materials with exceptional cycle performance for lithium-ion batteries by a simple self-template solid-state method."Journal of Alloys and Compounds 743 (2018) 707 - 715. DOI
Aykol, Muratahan, Shyam S Dwaraknath, Wenhao Sun, and Kristin A Persson."Thermodynamic limit for synthesis of metastable inorganic materials."Science Advances 4.4 (2018) eaaq0148. DOI
Takeuchi, Esther S, and Marca M Doeff."An Argument for Basic Battery Science: Each Time an Application Demands a New Battery Chemistry To Achieve Previously Unrealized Functionality, a New Fundamental Understanding Is Required."Accounts of Chemical Research 51.3 (2018) 573 - 574. DOI
Zheng, Chen, Kiran Mathew, Chi Chen, Yiming Chen, Hanmei Tang, Alan Dozier, Joshua J Kas, Fernando D Vila, John J Rehr, Louis F. J Piper, Kristin A Persson, and Shyue Ping Ong."Automated generation and ensemble-learned matching of X-ray absorption spectra."npj Computational Materials 4.1 (2018). DOI
Tian, Chixia, Dennis Nordlund, Huolin L Xin, Yahong Xu, Yijin Liu, Dimosthenis Sokaras, Feng Lin, and Marca M Doeff."Depth-Dependent Redox Behavior of LiNi 0.6Mn0.2Co0.2O2."Journal of The Electrochemical Society 165.3 (2018) A696 - A704. DOI
Bassman, Lindsay, Pankaj Rajak, Rajiv K Kalia, Aiichiro Nakano, Fei Sha, Muratahan Aykol, Patrick Huck, Kristin A Persson, Jifeng Sun, David J Singh, and Priya Vashishta."Efficient Discovery of Optimal N -Layered TMDC Hetero-StructuresABSTRACT."MRS Advances 3.6-7 (2018) 397 - 402. DOI
Kim, Hyo Won, Michael B Ross, Nikolay Kornienko, Liang Zhang, Jinghua Guo, Peidong Yang, and Bryan D McCloskey."Efficient hydrogen peroxide generation using reduced graphene oxide-based oxygen reduction electrocatalysts."Nature Catalysis 1.4 (2018) 282 - 290. DOI