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2017
Dagdelen, John, Joseph Montoya, Maarten de Jong, and Kristin A Persson."Computational prediction of new auxetic materials."Nature Communications
8.1 (2017). DOI
Ricci, Francesco, Wei Chen, Umut Aydemir, G. G Jeffrey Snyder, Gian-Marco Rignanese, Anubhav Jain, and Geoffroy Hautier."An ab initio electronic transport database for inorganic materials."Scientific Data
4.1 (2017). DOI
Qu, Xiaohui, Yong Zhang, Nav Nidhi Rajput, Anubhav Jain, Edward Maginn, and Kristin A Persson."Computational Design of New Magnesium Electrolytes with Improved Properties."The Journal of Physical Chemistry C
121.30 (2017) 16126 - 16136. DOI
Xing, Zhenyu, Yitong Qi, Ziqi Tian, Jing Xu, Yifei Yuan, Clement Bommier, Jun Lu, Wei Tong, De-en Jiang, and Xiulei Ji."Identify the Removable Substructure in Carbon ActivationIdentify the Removable Substructure in Carbon Activation."Chemistry of Materials
29.17 (2017) 7288 - 7295. DOI
Rong, Ziqin, Penghao Xiao, Miao Liu, Wenxuan Huang, Daniel C Hannah, William Scullin, Kristin A Persson, and Gerbrand Ceder."Fast Mg 2+ diffusion in Mo 3 (PO 4 ) 3 O for Mg batteries."Chemical Communications
53.57 (2017) 7998 - 8001. DOI
Wills, Lindsay A, Xiaohui Qu, I-Ya Chang, Thomas J. L Mustard, Douglas A Keszler, Kristin A Persson, and Paul Ha-Yeon Cheong."Group additivity-Pourbaix diagrams advocate thermodynamically stable nanoscale clusters in aqueous environments."Nature Communications
8.1 (2017). DOI
Fang, Shan, Zhenkun Tong, Ping Nie, Gao Liu, and Xiaogang Zhang."Raspberry-like Nanostructured Silicon Composite Anode for High-Performance Lithium-Ion Batteries."ACS Applied Materials & Interfaces
9.22 (2017) 18766 - 18773. DOI
Ward, Ashleigh L, Sean E Doris, Longjun Li, Mark A Hughes, Xiaohui Qu, Kristin A Persson, and Brett A Helms."Materials Genomics Screens for Adaptive Ion Transport Behavior by Redox-Switchable Microporous Polymer Membranes in Lithium–Sulfur Batteries."ACS Central Science
3.5 (2017) 399 - 406. DOI
Montoya, Joseph H, and Kristin A Persson."A high-throughput framework for determining adsorption energies on solid surfaces."npj Computational Materials
3.1 (2017). DOI
Ma, Chuze, Judith Alvarado, Jing Xu, Raphaële J Clément, Moses Kodur, Wei Tong, Clare P Grey, and Ying Shirley Meng."Exploring Oxygen Activity in the High Energy P2-Type Na 0.78Ni 0.23Mn 0.69O 2Cathode Material for Na-Ion Batteries."Journal of the American Chemical Society
139.13 (2017) 4835 - 4845. DOI
L.Green, M, C L Choi, J R Hattrick-Simpers, A M Joshi, I Takeuchi, S C Barron, E Campo, T Chiang, S Empedocles, J M Gregoire, A G Kusne, J Martin, A Mehta, Kristin A Persson, Z Trautt, J Van Duren, and A Zakutayev."Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies."Applied Physics Reviews
4.1 (2017) 011105. DOI
Self, Ethan C, Micahel Naguib, Rose E Ruther, Emily C McRen, Ryszard Wycisk, Gao Liu, Jagjit Nanda, and Peter N Pintauro."High Areal Capacity Si/LiCoO2 Batteries from Electrospun Composite Fiber Mats."ChemSusChem
10.8 (2017) 1823 - 1831. DOI
Yan, Qimin, Jie Yu, Santosh K Suram, Lan Zhou, Aniketa Shinde, Paul F Newhouse, Wei Chen, Guo Li, Kristin A Persson, John M Gregoire, and Jeffrey B Neaton."Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment."Proceedings of the National Academy of Sciences
114.12 (2017) 3040 - 3043. DOI
Wu, Fanglin, Yizhi Yan, Rui Wang, Haopeng Cai, Wei Tong, and Haolin Tang."Synthesis of LiNi1/3Mn1/3Co1/3O2@graphene for lithium-ion batteries via self-assembled polyelectrolyte layers."Ceramics International
43.10 (2017) 7668 - 7673. DOI
Faghaninia, Alireza, Guodong Yu, Umut Aydemir, Max Wood, Wei Chen, Gian-Marco Rignanese, G. G Jeffrey Snyder, Geoffroy Hautier, and Anubhav Jain."A computational assessment of the electronic, thermoelectric, and defect properties of bournonite (CuPbSbS 3) and related substitutions."Physical Chemistry Chemical Physics
19.9 (2017) 6743 - 6756. DOI
Gibbs, Zachary M, Francesco Ricci, Guodong Li, Hong Zhu, Kristin A Persson, Gerbrand Ceder, Geoffroy Hautier, Anubhav Jain, and G. G Jeffrey Snyder."Effective mass and Fermi surface complexity factor from ab initio band structure calculations."npj Computational Materials
3.1 (2017). DOI
Xu, Jing, Min Ling, Lydia Terborg, Hui Zhao, Fen Qiu, Jeffrey J Urban, Robert Kostecki, Gao Liu, and Wei Tong."Facile Synthesis and Electrochemistry of Si-Sn-C Nanocomposites for High-Energy Li-Ion Batteries."Journal of The Electrochemical Society
164.7 (2017) A1378 - A1383. DOI
Canepa, Pieremanuele, Sai Gautam Gopalakrishnan, Daniel C Hannah, Rahul Malik, Miao Liu, Kevin G Gallagher, Kristin A Persson, and Gerbrand Ceder."Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges."Chemical Reviews
117.5 (2017) 4287 - 4341. DOI
Wang, Yan, Qunting Qu, Gao Liu, Vincent S Battaglia, and Honghe Zheng."Aluminum fumarate-based metal organic frameworks with tremella-like structure as ultrafast and stable anode for lithium-ion batteries."Nano Energy
39 (2017) 200 - 210. DOI
Heng, Shuai, Qiang Shi, Xueying Zheng, Yan Wang, Qunting Qu, Gao Liu, Vincent S Battaglia, and Honghe Zheng."An organic-skinned secondary coating for carbon-coated LiFePO4 cathode of high electrochemical performances."Electrochimica Acta
258 (2017) 1244 - 1253. DOI
LiangZhang, LiangZhang, Min Ling, Jun Feng, Gao Liu, and Jinghua Guo."Effective electrostatic confinement of polysulfides in lithium/sulfur batteries by a functional binder."Nano Energy
40 (2017) 559 - 565. DOI
Higa, Kenneth, Hui Zhao, Dilworth Y Parkinson, Harold Barnard, Min Ling, Gao Liu, and Venkat Srinivasan."Electrode Slurry Particle Density Mapping Using X-ray Radiography."Journal of The Electrochemical Society
164.2 (2017) A380 - A388. DOI
Petousis, Ioannis, David Mrdjenovich, Eric Ballouz, Miao Liu, Donald Winston, Wei Chen, Tanja Graf, Thomas D Schladt, Kristin A Persson, and Fritz B Prinz."High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials."Scientific Data
4.1 (2017). DOI
Ling, Min, Michael Liu, Tianyue Zheng, Ting Zhang, and Gao Liu."Investigating the Doping Mechanism of Pyrene Based Methacrylate Functional Conductive Binder in Silicon Anodes for Lithium-Ion Batteries."Journal of The Electrochemical Society
164.4 (2017) A545 - A548. DOI