Applied Energy Materials Group

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.

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Wang, Qi, and Anubhav Jain. "A transferable machine-learning framework linking interstice distribution and plastic heterogeneity in metallic glasses." Nature Communications 10.1.

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Kuo, Jimmy Jiahong, Umut Aydemir, Jan-Hendrik Pöhls, Fei Zhou, Guodong Yu, Alireza Faghaninia, Francesco Ricci, Mary Anne White, Gian-Marco Rignanese, Geoffroy Hautier, Anubhav Jain, and G Jeffrey Snyder. "Origins of ultralow thermal conductivity in 1-2-1-4 quaternary selenides." Journal of Materials Chemistry A 7.6 (2019) 2589–2596.

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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.

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Zhang, Guangzhao, Yu Yang, Tian Zhang, Dongwei Xu, Zhiwen Lei, Chaoyang Wang, Gao Liu, and Yonghong Deng. "Fe^III chelated organic anode with ultrahigh rate performance and ultra-long cycling stability for lithium-ion batteries." Energy Storage Materials 24 (2020) 432–438.

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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.

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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.

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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.

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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).

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Woods-Robinson, Rachel, Yanbing Han, Hanyu Zhang, Tursun Ablekim, Imran Sheikh, Kristin A Persson, and Andriy Zakutayev. "Wide Band Gap Chalcogenide Semiconductors." Chemical Reviews (2020).

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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.

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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.

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Borodin, Oleg, Julian Self, Kristin A Persson, Chunsheng Wang, and Kang Xu. "Uncharted Waters: Super-Concentrated Electrolytes." Joule 4.1 (2020) 69–100.

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Cooley, Joya A, Matthew K Horton, Emily E Levin, Saul H Lapidus, Kristin A Persson, and Ram Seshadri. "From Waste-Heat Recovery to Refrigeration: Compositional Tuning of Magnetocaloric Mn _{1+ x} Sb." Chemistry of Materials 32.3 (2020) 1243–1249.

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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.

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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.

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Gonze, Xavier, Bernard Amadon, Gabriel Antonius, Frédéric Arnardi, Lucas Baguet, Jean-Michel Beuken, Jordan Bieder, François Bottin, Johann Bouchet, Eric Bousquet, Nils Brouwer, Fabien Bruneval, Guillaume Brunin, Théo Cavignac, Jean-Baptiste Charraud, Wei Chen, Michel Côté, Stefaan Cottenier, Jules Denier, Grégory Geneste, Philippe Ghosez, Matteo Giantomassi, Yannick Gillet, Olivier Gingras, Donald R Hamann, Geoffroy Hautier, Xu He, Nicole Helbig, Natalie Holzwarth, Yongchao Jia, François Jollet, William Lafargue-Dit-Hauret, Kurt Lejaeghere, Miguel A.L Marques, Alexandre Martin, Cyril Martins, Henrique P.C Miranda, Francesco Naccarato, Kristin A Persson, Guido Petretto, Valentin Planes, Yann Pouillon, Sergei Prokhorenko, Fabio Ricci, Gian-Marco Rignanese, Aldo H Romero, Michael Marcus Schmitt, Marc Torrent, Michiel J van Setten, Benoit Van Troeye, Matthieu J Verstraete, Gilles Zérah, and Josef W Zwanziger. "The Abinitproject: Impact, environment and recent developments." Computer Physics Communications 248 (2020) 107042.

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Sivonxay, Eric, Muratahan Aykol, and Kristin A Persson. "The lithiation process and Li diffusion in amorphous." Electrochimica Acta 331 (2020) 135344.

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Waroquiers, David, Janine George, Matthew Horton, Stephan Schenk, Kristin A Persson, Gian-Marco Rignanese, Xavier Gonze, and Geoffroy Hautier. "ChemEnv : A Fast and Robust Coordination Environment Identification Too." (2019).

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