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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 J.L 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. DOI
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). DOI
Zhang, Linjing, Caiping Zhang, Ning Li, and Wei Tong."Influence of Charge Cutoff Voltage on the Cycling Behavior of LiNi 0.5Mn0.3Co0.2O2 Cathode."Journal of The Electrochemical Society
167.12 (2020) 120509. DOI
Dai, Kehua, Jing Mao, Zengqing Zhuo, Yan Feng, Wenfeng Mao, Guo Ai, Feng Pan, Yi-den Chuang, Gao Liu, and Wanli Yang."Negligible voltage hysteresis with strong anionic redox in conventional battery electrode."Nano Energy
74 (2020) 104831. DOI
Mao, Wenfeng, Wei Yue, Zijia Xu, Jin Wang, Jingbo Zhang, Dejun Li, Bo Zhang, Shaohua yang, Kehua Dai, Gao Liu, and Guo Ai."Novel Hoberman Sphere Design for Interlaced Mn3O4@CNT Architecture with Atomic Layer Deposition-Coated TiO2 Overlayer as Advanced Anodes in Li-Ion Battery."ACS Applied Materials & Interfaces
12.35 (2020) 39282 - 39292. DOI
Xia, B, J Cheng, M Arengo, N Rajput, Y Janssen, J R Neilson, K A Persson, and J W Simonson."Trigonal polymorph of Li2MnO3."Physical Review Materials
4.8 (2020). DOI
Bartel, Christopher J, Amalie Trewartha, Qi Wang, Alexander Dunn, Anubhav Jain, and Gerbrand Ceder."A critical examination of compound stability predictions from machine-learned formation energies."npj Computational Materials
6.1 (2020). DOI
Shan, Xiaojian, Zhang Cao, Guobin Zhu, Yan Wang, Qunting Qu, Gao Liu, and Honghe Zheng."A trimethylol melamine functionalized polyvinyl alcohol network for high performance nano-silicon anodes."Journal of Materials Chemistry A
7.45 (2020) 26029 - 26038. DOI
Spotte‐Smith, Evan WalterCla, Peiyuan Yu, Samuel M Blau, Ravi S Prasher, and Anubhav Jain."Aqueous Diels–Alder reactions for thermochemical storage and heat transfer fluids identified using density functional theory."Journal of Computational Chemistry
41.24 (2020) 2137 - 2150. DOI
Cheng, Jianli, Eric Sivonxay, and Kristin A Persson."Evaluation of Amorphous Oxide Coatings for High-Voltage Li-Ion Battery Applications Using a First-Principles Framework."ACS Applied Materials & Interfaces
12.31 (2020) 35748 - 35756. DOI
Liu, Zhimeng, Xin He, Chen Fang, Luis E Camacho‐Forero, Yangzhi Zhao, Yanbao Fu, Jun Feng, Robert Kostecki, Perla B Balbuena, Junhua Xhang, Jingxin Lei, and Gao Liu."Reversible Crosslinked Polymer Binder for Recyclable Lithium Sulfur Batteries with High Performance."Advanced Functional Materials
30.36 (2020) 2003605. DOI
Zhao, Yangzhi, Chen Fang, Guangzhao Zhang, Dion Hubble, Asritha Nallapaneni, Chenhui Zhu, Zhuowen Zhao, Zhimeng Liu, Jonathan Lau, Yanbao Fu, and Gao Liu."A Micelle Electrolyte Enabled by Fluorinated Ether Additives for Polysulfide Suppression and Li Metal Stabilization in Li-S Battery."Frontiers in Chemistry
8 (2020). DOI
Karin, Todd, and Anubhav Jain."Photovoltaic String Sizing Using Site-Specific Modeling."IEEE Journal of Photovoltaics
10.3 (2020) 888 - 897. DOI
Yue, Yuan, Ning Li, Linze Li, Emily E Foley, Yanbao Fu, Vincent S Battaglia, Raphaële J Clément, Chongmin Wang, and Wei Tong."Redox Behaviors in a Li-Excess Cation-Disordered Mn–Nb–O–F Rocksalt Cathode."Chemistry of Materials
32.11 (2020) 4490 - 4498. DOI
Gorai, Prashun, Alex Ganose, Alireza Faghaninia, Anubhav Jain, and Vladan Stevanović."Computational discovery of promising new n-type dopable ABX Zintl thermoelectric materials."Materials Horizons
7.7 (2020) 1809 - 1818. DOI
Dylla, Maxwell T, Alexander Dunn, Shashwat Anand, Anubhav Jain, and G. G Jeffrey Snyder."Machine Learning Chemical Guidelines for Engineering Electronic Structures in Half-Heusler Thermoelectric Materials."Research
2020 (2020) 1 - 8. DOI
Smidt, Tess E, Stephanie A Mack, Sebastian E Reyes-Lillo, Anubhav Jain, and Jeffrey B Neaton."An automatically curated first-principles database of ferroelectrics."Scientific Data
7.1 (2020). DOI
Mao, Wenfeng, Wei Yue, Zijia Xu, Shiyong Chang, Qianqian Hu, Feng Pei, Xiangdong Huang, Jingbo Zhang, Dejun Li, Gao Liu, and Guo Ai."Development of a Synergistic Activation Strategy for the Pilot-Scale Construction of Hierarchical Porous Graphitic Carbon for Energy Storage Applications."ACS Nano
14.4 (2020) 4741 - 4754. DOI
Ling, Handong, Shyam S Dwaraknath, and Kristin A Persson."Origin of Disorder Tolerance in Piezoelectric Materials and Design of Polar Systems."Chemistry of Materials
32.7 (2020) 2836 - 2842. DOI
Wu, Jinpeng, Zengqing Zhuo, Xiaohui Rong, Kehua Dai, Zachary Lebens-Higgins, Shawn Sallis, Feng Pan, Louis F. J Piper, Gao Liu, Yi- De Chuang, Zahid Hussain, Qinghao Li, Rong Zeng, Zhi-xun Shen, and Wanli Yang."Dissociate lattice oxygen redox reactions from capacity and voltage drops of battery electrodes."Science Advances
6.6 (2020) eaaw3871. DOI
Zimmermann, Nils E. R, and Anubhav Jain."Local structure order parameters and site fingerprints for quantification of coordination environment and crystal structure similarity."RSC Advances
10.10 (2020) 6063 - 6081. DOI
Mrdjenovich, David, Matthew K Horton, Joseph H Montoya, Christian M Legaspi, Shyam Dwaraknath, Vahe Tshitoyan, Anubhav Jain, and Kristin A Persson."propnet: A Knowledge Graph for Materials Science."Matter
2.2 (2020) 464 - 480. DOI
Lin, Shuren, Zixuan Fang, Tingzheng Hou, Ting Wan Hsu, Chi H So, Cher Yeoh, Roger Li, Yin Liu, Emory M Chan, Yu-Lun Chueh, Bin Tang, Kristin A Persson, and Jie Yao."Tunable valleytronics with symmetry-retaining high polarization degree in SnS x Se 1−x model system."Applied Physics Letters
116.6 (2020) 061105. DOI
He, Changfei, Peter R Christensen, Trevor J Seguin, Eric A Dailing, Brandon M Wood, Rebecca K Walde, Kristin A Persson, Thomas P Russell, and Brett A Helms."Conformational Entropy as a Means to Control the Behavior of Poly(diketoenamine) Vitrimers In and Out of Equilibrium."Angewandte Chemie International Edition
59.2 (2020) 735 - 739. DOI
Zhang, Guangzhao, Yu Yang, Tian Zhang, Dongwei Xu, Zhiwen Lei, Chaoyang Wang, Gao Liu, and Yonghong Deng."FeIII chelated organic anode with ultrahigh rate performance and ultra-long cycling stability for lithium-ion batteries."Energy Storage Materials
24 (2020) 432 - 438. DOI