Non-encapsulation approach for high-performance Li–S batteries through controlled nucleation and growth H Pan, J Chen, R Cao, V Murugesan, NN Rajput, KS Han, K Persson, ... Nature Energy 2 (10), 813-820, 2017 | 348 | 2017 |
Accelerating electrolyte discovery for energy storage with high-throughput screening L Cheng, RS Assary, X Qu, A Jain, SP Ong, NN Rajput, K Persson, ... The journal of physical chemistry letters 6 (2), 283-291, 2015 | 348 | 2015 |
The influence of FEC on the solvation structure and reduction reaction of LiPF6/EC electrolytes and its implication for solid electrolyte interphase formation T Hou, G Yang, NN Rajput, J Self, SW Park, J Nanda, KA Persson Nano Energy 64, 103881, 2019 | 308 | 2019 |
The coupling between stability and ion pair formation in magnesium electrolytes from first-principles quantum mechanics and classical molecular dynamics NN Rajput, X Qu, N Sa, AK Burrell, KA Persson Journal of the American Chemical Society 137 (9), 3411-3420, 2015 | 306 | 2015 |
Origin of electrochemical, structural, and transport properties in nonaqueous zinc electrolytes SD Han, NN Rajput, X Qu, B Pan, M He, MS Ferrandon, C Liao, ... ACS applied materials & interfaces 8 (5), 3021-3031, 2016 | 206 | 2016 |
The Electrolyte Genome project: A big data approach in battery materials discovery X Qu, A Jain, NN Rajput, L Cheng, Y Zhang, SP Ong, M Brafman, ... Computational Materials Science 103, 56-67, 2015 | 200 | 2015 |
Nanocomposite polymer electrolyte for rechargeable magnesium batteries Y Shao, NN Rajput, J Hu, M Hu, T Liu, Z Wei, M Gu, X Deng, S Xu, ... Nano Energy 12, 750-759, 2015 | 152 | 2015 |
Elucidating the structure of the magnesium aluminum chloride complex electrolyte for magnesium-ion batteries P Canepa, S Jayaraman, L Cheng, NN Rajput, WD Richards, GS Gautam, ... Energy & Environmental Science 8 (12), 3718-3730, 2015 | 147 | 2015 |
Solvation structure and energetics of electrolytes for multivalent energy storage SH Lapidus, NN Rajput, X Qu, KW Chapman, KA Persson, PJ Chupas Physical Chemistry Chemical Physics 16 (40), 21941-21945, 2014 | 144 | 2014 |
Elucidating the solvation structure and dynamics of lithium polysulfides resulting from competitive salt and solvent interactions NN Rajput, V Murugesan, Y Shin, KS Han, KC Lau, J Chen, J Liu, ... Chemistry of Materials 29 (8), 3375-3379, 2017 | 142 | 2017 |
On the influence of pore size and pore loading on structural and dynamical heterogeneities of an ionic liquid confined in a slit nanopore NN Rajput, J Monk, R Singh, FR Hung The Journal of Physical Chemistry C 116 (8), 5169-5181, 2012 | 129 | 2012 |
Elucidating solvation structures for rational design of multivalent electrolytes—a review NN Rajput, TJ Seguin, BM Wood, X Qu, KA Persson Modeling Electrochemical Energy Storage at the Atomic Scale, 79-124, 2018 | 109 | 2018 |
“Rocking-chair”-type metal hybrid supercapacitors HD Yoo, SD Han, RD Bayliss, AA Gewirth, B Genorio, NN Rajput, ... ACS applied materials & interfaces 8 (45), 30853-30862, 2016 | 98 | 2016 |
Decarbonization of the chemical industry through electrification: Barriers and opportunities DS Mallapragada, Y Dvorkin, MA Modestino, DV Esposito, WA Smith, ... Joule 7 (1), 23-41, 2023 | 94 | 2023 |
Structure and dynamics of an ionic liquid confined inside a charged slit graphitic nanopore NN Rajput, J Monk, FR Hung The Journal of Physical Chemistry C 116 (27), 14504-14513, 2012 | 85 | 2012 |
Concentration dependent electrochemical properties and structural analysis of a simple magnesium electrolyte: magnesium bis (trifluoromethane sulfonyl) imide in diglyme N Sa, NN Rajput, H Wang, B Key, M Ferrandon, V Srinivasan, KA Persson, ... RSC advances 6 (114), 113663-113670, 2016 | 77 | 2016 |
Non-polar ether-based electrolyte solutions for stable high-voltage non-aqueous lithium metal batteries Z Li, H Rao, R Atwi, BM Sivakumar, B Gwalani, S Gray, KS Han, ... Nature Communications 14 (1), 868, 2023 | 67 | 2023 |
Structure and dynamics of polysulfide clusters in a nonaqueous solvent mixture of 1, 3-dioxolane and 1, 2-dimethoxyethane A Andersen, NN Rajput, KS Han, H Pan, N Govind, KA Persson, ... Chemistry of Materials 31 (7), 2308-2319, 2019 | 65 | 2019 |
Molecular dynamics simulations of the ionic liquid [EMIM+][TFMSI−] confined inside rutile (110) slit nanopores R Singh, NN Rajput, X He, J Monk, FR Hung Physical Chemistry Chemical Physics 15 (38), 16090-16103, 2013 | 62 | 2013 |
Ionic liquids confined in a realistic activated carbon model: a molecular simulation study NN Rajput, J Monk, FR Hung The Journal of Physical Chemistry C 118 (3), 1540-1553, 2014 | 61 | 2014 |