Publications

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Journal Article
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.
Cheng, Lei, Rajeev S Assary, Xiaohui Qu, Anubhav Jain, Shyue P Ong, Nav Nidhi Rajput, Kristin A Persson, and Larry A Curtiss. "Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening." The Journal of Physical Chemistry Letters 6 (2015) 283-291.
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.
Sa, Niya, Nav Nidhi Rajput, Hao Wang, Baris Key, Magali S Ferrandon, Venkat Srinivasan, Kristin A Persson, Anthony K Burrell, and John T Vaughey. "Concentration dependent electrochemical properties and structural analysis of a simple magnesium electrolyte: magnesium bis(trifluoromethane sulfonyl)imide in diglyme." RSC Advances 6.114 (2016) 113663 - 113670.
Rajput, Nav Nidhi, Xiaohui Qu, Niya Sa, Anthony K Burrell, and Kristin A Persson. "The Coupling between Stability and Ion Pair Formation in Magnesium Electrolytes from First-Principles Quantum Mechanics and Classical Molecular Dynamics." Journal of the American Chemical Society 137 (2015) 3411-3420.
Han, Kee Sung, Nav Nidhi Rajput, Xiaoliang Wei, Wei Wang, Jian Z Hu, Kristin A Persson, and Karl T Mueller. "Diffusional motion of redox centers in carbonate electrolytes." The Journal of Chemical Physics 141.10 (2014).
Han, Kee Sung, Junzheng Chen, Ruiguo Cao, Nav Nidhi Rajput, Vijayakumar Murugesan, Lili Shi, Huilin Pan, Ji-Guang Zhang, Jun Liu, Kristin A Persson, and Karl T Mueller. "Effects of Anion Mobility on Electrochemical Behaviors of Lithium–Sulfur Batteries." Chemistry of Materials 29.21 (2017) 9023 - 9029.
Qu, Xiaohui, Anubhav Jain, Nav Nidhi Rajput, Lei Cheng, Yong Zhang, Shyue P Ong, Miriam Brafman, Edward Maginn, Larry A Curtiss, and Kristin A Persson. "The Electrolyte Genome project: A big data approach in battery materials discovery." Computational Materials Science 103 (2015) 56-67.
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).
Rajput, Nav Nidhi, Vijayakumar Murugesan, Yongwoo Shin, Kee Sung Han, Kah Chun Lau, Junzheng Chen, Jun Liu, Larry A Curtiss, Karl T Mueller, and Kristin A Persson. "Elucidating the Solvation Structure and Dynamics of Lithium Polysulfides Resulting from Competitive Salt and Solvent Interactions." Chemistry of Materials 29.8 (2017) 3375 - 3379.
Canepa, Pieremanuele, Saivenkataraman Jayaraman, Lei Cheng, Nav Nidhi Rajput, William D Richards, Gopalakrishnan Sai Gautam, Larry A Curtiss, Kristin A Persson, and Gerbrand Ceder. "Elucidating the structure of the magnesium aluminum chloride complex electrolyte for magnesium-ion batteries." Energy & Environmental Science 8.12 (2015) 3718 - 3730.
Hou, Tingzheng, Guang Yang, Nav Nidhi Rajput, Julian Self, Sang-Won Park, Jagjit Nanda, and Kristin A Persson. "The influence of FEC on the solvation structure and reduction reaction of LiPF6/EC electrolytes and its implication for solid electrolyte interphase formation." Nano Energy 64 (2019) 103881.
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.
Shao, Yuyan, Nav Nidhi Rajput, Jianzhi Hu, Mary Hu, Tianbiao Liu, Zhehao Wei, Meng Gu, Xuchu Deng, Suochang Xu, Kee Sung Han, Jiulin Wang, Zimin Nie, Guosheng Li, Kevin R Zavadil, Jie Xiao, Chongmin Wang, Wesley A Henderson, Ji-Guang Zhang, Yong Wang, Karl T Mueller, Kristin A Persson, and Jun Liu. "Nanocomposite polymer electrolyte for rechargeable magnesium batteries." Nano Energy 12 (2015) 750-759.
Pan, Huilin, Junzheng Chen, Ruiguo Cao, Vijay Murugesan, Nav Nidhi Rajput, Kee Sung Han, Kristin A Persson, Luis Estevez, Mark H Engelhard, Ji-Guang Zhang, Karl T Mueller, Yi Cui, Yuyan Shao, and Jun Liu. "Non-encapsulation approach for high-performance Li–S batteries through controlled nucleation and growth." Nature Energy 2.10 (2017) 813 - 820.
Han, Sang-Don, Nav Nidhi Rajput, Xiaohui Qu, Baofei Pan, Meinan He, Magali S Ferrandon, Chen Liao, Kristin A Persson, and Anthony K Burrell. "Origin of Electrochemical, Structural, and Transport Properties in Nonaqueous Zinc Electrolytes." ACS Applied Materials & Interfaces 8.5 (2016) 3021 - 3031.
Han, Kee Sung, Nav Nidhi Rajput, M. Vijayakumar, Xiaoliang Wei, Wei Wang, Jianzhi Hu, Kristin A Persson, and Karl T Mueller. "Preferential Solvation of an Asymmetric Redox Molecule." The Journal of Physical Chemistry C 120.49 (2016) 27834 - 27839.
Yoo, Hyun Deog, Sang-Don Han, Ryan D Bayliss, Andrew A Gewirth, Bostjan Genorio, Nav Nidhi Rajput, Kristin A Persson, Anthony K Burrell, and Jordi Cabana. "“Rocking-Chair”-Type Metal Hybrid Supercapacitors." ACS Applied Materials & Interfaces 8.45 (2016) 30853 - 30862.
Lapidus, Saul H, Nav Nidhi Rajput, Xiaohui Qu, Karena W Chapman, Kristin A Persson, and Peter J Chupas. "Solvation structure and energetics of electrolytes for multivalent energy storage." Physical Chemistry Chemical Physics (2014).
Andersen, Amity, Nav Nidhi Rajput, Kee Sung Han, Huilin Pan, Niranjan Govind, Kristin A Persson, Karl T Mueller, and Vijayakumar Murugesan. "Structure and Dynamics of Polysulfide Clusters in a Nonaqueous Solvent Mixture of 1,3-Dioxolane and 1,2-Dimethoxyethane." Chemistry of Materials 31.7 (2019) 2308 - 2319.