Publications
Publications by Research Area
Publications by Division
X Author: Nav Nidhi Rajput
2019
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. DOI
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. DOI
2018
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
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
2017
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. DOI
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. DOI
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. 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
2016
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. DOI
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. DOI
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. DOI
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. DOI
2015
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. DOI
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. DOI
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. DOI
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. DOI
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. DOI
2014
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). DOI
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). DOI