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2018
Wang, Yan, Xueying Zheng, Qunting Qu, Gao Liu, Vincent S Battaglia, and Honghe Zheng."A novel maleic acid/graphite composite anode for lithium ion batteries with high energy and power density."Carbon
132 (2018) 420 - 429. DOI
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
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
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
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
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
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
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
Xu, Jing, Meiling Sun, Ruimin Qiao, Sara E Renfrew, Lu Ma, Tianpin Wu, Sooyeon Hwang, Dennis Nordlund, Dong Su, Khalil Amine, Jun Lu, Bryan D McCloskey, Wanli Yang, and Wei Tong."Elucidating anionic oxygen activity in lithium-rich layered oxides."Nature Communications
9.1 (2018). DOI
Liu, Gao, Shuo Zhou, Guixin Wang, Kangping Yan, Tianyue Zheng, and Theodoros E Matikas."Stress monitoring of lithiuim ion cells during cycling to correlate with the electrochemical processes."Smart Materials and Nondestructive Evaluation for Energy Systems IVSmart Materials and Nondestructive Evaluation for Energy Systems IV
(2018). DOI
Zhang, Liang, Min Ling, Jun Feng, Liqiang Mai, Gao Liu, and Jinghua Guo."The synergetic interaction between LiNO3 and lithium polysulfides for suppressing shuttle effect of lithium-sulfur batteries."Energy Storage Materials
11 (2018) 24 - 29. DOI
Sabisch, Julian E.C, Abraham Anapolsky, Gao Liu, and Andrew M Minor."Evaluation of using pre-lithiated graphite from recycled Li-ion batteries for new LiB anodes."Resources, Conservation and Recycling
129 (2018) 129 - 134. DOI
Wang, Rui, Jingyu Cao, Shichang Cai, Xuemin Yan, Junsheng Li, William M Yourey, Wei Tong, and Haolin Tang."MOF@Cellulose Derived Co–N–C Nanowire Network as an Advanced Reversible Oxygen Electrocatalyst for Rechargeable Zinc–Air Batteries."ACS Applied Energy Materials
1.3 (2018) 1060 - 1068. DOI
Self, Julian, Brandon M Wood, Nav Nidhi Rajput, and Kristin A Persson."The Interplay between Salt Association and the Dielectric Properties of Low Permittivity Electrolytes: The Case of LiPF 6 and LiAsF 6 in Dimethyl Carbonate."The Journal of Physical Chemistry C
122.4 (2018) 1990 - 1994. DOI
wang, huali, Min Ling, Ying Bai, Shi Chen, Yanxia Yuan, Gao Liu, Chuan Wu, and Feng Wu."Cationic polymer binder inhibit shuttle effects through electrostatic confinement in lithium sulfur batteries."Journal of Materials Chemistry A
6.16 (2018) 6959 - 6966. DOI
Zimmermann, Nils E. R, Daniel C. Hannah Hannah, Ziqin Rong, Miao Liu, Gerbrand Ceder, Maciej Haranczyk, and Kristin A Persson."Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models."The Journal of Physical Chemistry Letters
9.3 (2018) 628 - 634. DOI
Tong, Wei, Yudai Huang, Wei Jia, Xingchao Wang, Yong Guo, Zhipeng Sun, Dianzeng Jia, and Jun Zong."Leaf-like interconnected network structure of MWCNT/Co9S8/S for lithium-sulfur batteries."Journal of Alloys and Compounds
731 (2018) 964 - 970. DOI
Gao, Ximei, Yuanlei Ding, Qunting Qu, Gao Liu, Vincent S Battaglia, and Honghe Zheng."Optimizing solid electrolyte interphase on graphite anode by adjusting the electrolyte solution structure with ionic liquid."Electrochimica Acta
260 (2018) 640 - 647. DOI