Publications

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2020
Todd, Paul K, Allison Wustrow, Rebecca D McAuliffe, Matthew J McDermott, Gia Thinh Tran, Brennan C McBride, Ethan D Boeding, Daniel O’Nolan, Chia-Hao Liu, Shyam S Dwaraknath, Karena W Chapman, Simon JL Billinge, Kristin A Persson, Ashfia Huq, Gabriel M Veith, and James R Neilson. "Defect-Accommodating Intermediates Yield Selective Low-Temperature Synthesis of YMnO 3Polymorphs." Inorganic Chemistry 59.18 (2020) 13639 - 13650.
Lun, Zhengyan, Bin Ouyang, Zijian Cai, Raphaële J Clément, Deok-Hwang Kwon, Jianping Huang, Joseph K Papp, Mahalingam Balasubramanian, Yaosen Tian, Bryan D McCloskey, Huiwen Ji, Haegyeom Kim, Daniil A Kitchaev, and Gerbrand Ceder. "Design Principles for High-Capacity Mn-Based Cation-Disordered Rocksalt Cathodes." Chem 6.1 (2020) 153 - 168.
Liu, Haodong, Zhuoying Zhu, Qizhang Yan, Sicen Yu, Xin He, Yan Chen, Rui Zhang, Lu Ma, Tongchao Liu, Matthew Li, Ruoqian Lin, Yiming Chen, Yejing Li, Xing Xing, Yoonjung Choi, Lucy Gao, Helen Sung-yun Cho, Ke An, Jun Feng, Robert Kostecki, Khalil Amine, Tianpin Wu, Jun Lu, Huolin L Xin, Shyue Ping Ong, and Ping Liu. "A disordered rock salt anode for fast-charging lithium-ion batteries." Nature 585.7823 (2020) 63 - 67.
Katzenberg, Adlai, Debdyuti Mukherjee, Peter J Dudenas, Yoshiyuki Okamoto, Ahmet Kusoglu, and Miguel A Modestino. "Dynamic Emergence of Nanostructure and Transport Properties in Perfluorinated Sulfonic Acid Ionomers." Macromolecules 53.19 (2020) 8519 - 8528.
Zheng, Hui, Xiang-Guo Li, Richard Tran, Chi Chen, Matthew Horton, Donald Winston, Kristin A Persson, and Shyue Ping Ong. "Grain boundary properties of elemental metals." Acta Materialia 186 (2020) 40 - 49.
Park, Junsoo, Yi Xia, Alex M Ganose, Anubhav Jain, and Vidvuds Ozoliņš. "High Thermoelectric Performance and Defect Energetics of Multipocketed Full Heusler Compounds." Physical Review Applied 14.2 (2020).
Katzenberg, Adlai, Anamika Chowdhury, Minfeng Fang, Adam Z Weber, Yoshiyuki Okamoto, Ahmet Kusoglu, and Miguel A Modestino. "Highly Permeable Perfluorinated Sulfonic Acid Ionomers for Improved Electrochemical Devices: Insights into Structure–Property Relationships." Journal of the American Chemical Society 142.8 (2020) 3742 - 3752.
2019
Zhou, Jun, Lei Shen, Miguel Dias Costa, Kristin A Persson, Shyue Ping Ong, Patrick Huck, Yunhao Lu, Xiaoyang Ma, Yiming Chen, Hanmei Tang, and Yuan Ping Feng. "2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches." Scientific Data 6.1 (2019).
Stern, Rebecca D, Danielle C Hutchison, Morgan R Olsen, Lev N Zakharov, May Nyman, and Kristin A Persson. "Alkyltin Keggin clusters as EUVL photoresist technology." International Conference on Extreme Ultraviolet Lithography 2019International Conference on Extreme Ultraviolet Lithography 2019. Ed. Ronse, Kurt G, Paolo A Gargini, Patrick P Naulleau, and Toshiro Itani. Monterey, United States: SPIE, 2019.
Tran, Richard, Xiang-Guo Li, Joseph H Montoya, Donald Winston, Kristin A Persson, and Shyue Ping Ong. "Anisotropic work function of elemental crystals." Surface Science 687 (2019) 48 - 55.
Xu, Dongyu, Michaela Burke Stevens, Monty R Cosby, Sebastian Z Oener, Adam M Smith, Lisa J Enman, Katherine E Ayers, Christopher B Capuano, Julie N Renner, Nemanja Danilovic, Yaogang Li, Hongzhi Wang, Qinghong Zhang, and Shannon W Boettcher. "Earth-Abundant Oxygen Electrocatalysts for Alkaline Anion-Exchange-Membrane Water Electrolysis: Effects of Catalyst Conductivity and Comparison with Performance in Three-Electrode Cells." ACS Catalysis 9.1 (2019) 7 - 15.
Oropeza, Dayana D, Jhanis J Gonzalez, José R Chirinos, Vassilia Zorba, Estrella Rogel, César Ovalles, and Francisco López-Linares. "Elemental Analysis of Asphaltenes Using Simultaneous Laser-Induced Breakdown Spectroscopy (LIBS)–Laser Ablation Inductively Coupled Plasma Optical Emission Spectrometry (LA-ICP-OES)." Applied Spectroscopy 73.5 (2019) 540 - 549.
Oropeza, Dayana D, Jhanis J Gonzalez, José R Chirinos, Vassilia Zorba, Estrella Rogel, César Ovalles, and Francisco López-Linares. "Elemental Analysis of Asphaltenes Using Simultaneous Laser-Induced Breakdown Spectroscopy (LIBS)–Laser Ablation Inductively Coupled Plasma Optical Emission Spectrometry (LA-ICP-OES)." Applied Spectroscopy 73.5 (2019) 540 - 549.
Liu, Haodong, Zhuoying Zhu, Jason Huang, Xin He, Yan Chen, Rui Zhang, Ruoqian Lin, Yejing Li, Sicen Yu, Xing Xing, Qizhang Yan, Xiangguo Li, Matthew J Frost, Ke An, Jun Feng, Robert Kostecki, Huolin L Xin, Shyue Ping Ong, and Ping Liu. "Elucidating the Limit of Li Insertion into the Spinel Li 4Ti 5O 12." ACS Materials Letters 1.1 (2019) 96 - 102.
Ayers, Katherine, Nemanja Danilovic, Ryan Ouimet, Marcelo Carmo, Bryan Pivovar, and Marius Bornstein. "Perspectives on Low-Temperature Electrolysis and Potential for Renewable Hydrogen at Scale." Annual Review of Chemical and Biomolecular Engineering 10.1 (2019) 219 - 239.
2018
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.
Hutchison, Danielle C, Rebecca D Stern, Morgan R Olsen, Lev N Zakharov, Kristin A Persson, and May Nyman. "Alkyltin clusters: the less symmetric Keggin isomers." Dalton Transactions 47.29 (2018) 9804 - 9813.
Zheng, Chen, Kiran Mathew, Chi Chen, Yiming Chen, Hanmei Tang, Alan Dozier, Joshua J Kas, Fernando D Vila, John J Rehr, Louis FJ 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).
Ye, Weike, Chi Chen, Shyam S Dwaraknath, Anubhav Jain, Shyue Ping Ong, and Kristin A Persson. "Harnessing the Materials Project for machine-learning and accelerated discoveryAbstract." MRS Bulletin 43.9 (2018) 664 - 669.
Mathew, Kiran, Chen Zheng, Donald Winston, Chi Chen, Alan Dozier, John J Rehr, Shyue Ping Ong, and Kristin A Persson. "High-throughput computational X-ray absorption spectroscopy." Scientific Data 5 (2018) 180151.
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.
Wenzel, George, Matias Negrete-Pincetic, Daniel E Olivares, Jason S MacDonald, and Duncan S Callaway. "Real-Time Charging Strategies for an Electric Vehicle Aggregator to Provide Ancillary Services." IEEE Transactions on Smart Grid 9.5 (2018) 5141 - 5151.
Khan, M. I, Sean D Lubner, D. F Ogletree, and C. Dames. "Temperature dependence of secondary electron emission: A new route to nanoscale temperature measurement using scanning electron microscopy." Journal of Applied Physics 124.19 (2018) 195104.

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