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Energy Materials Group

Vijay Murugesan

Pacific Northwest National Laboratory
PO Box 999
Richland, WA 99352

PNNL Publications


  • Murugesan V, KS Han, J Hu, and KT Mueller. 2017. "Molecular Level Structure and Dynamics of Electrolytes Using 17O Nuclear Magnetic Resonance Spectroscopy." eMagRes 6(1):71-82.  doi:10.1002/9780470034590.emrstm1529
  • Duan W, J Huang, JA Kowalski, IA Shkrob, V Murugesan, ED Walter, B Pan, Z Yang, JD Milshtein, B Li, C Liao, Z Zhang, W Wang, J Liu, JS Moore, F Brushett, L Zhang, and X Wei. 2017. ""Wine-Dark Sea" in An Organic Flow Battery: Storing Negative Charge in 2,1,3-Benzothiadiazole Radicals Leads to Improved Cyclability." ACS Energy Letters 2(5):1156-1161.  doi:10.1021/acsenergylett.7b00261
  • Nandasiri MI, LE Camacho-Forero, AM Schwarz, V Shutthanandan, S Thevuthasan, PB Balbuena, KT Mueller, and V Murugesan. 2017. "In-situ chemical imaging of Solid-Electrolyte Interphase layer evolution in Li-S batteries." Chemistry of Materials 29(11):4728-4737.  doi:10.1021/acs.chemmater.7b00374
  • Pan H, KS Han, M Vijayakumar, J Xiao, R Cao, J Chen, J Zhang, KT Mueller, Y Shao, and J Liu. 2017. "Ammonium additives to dissolve lithium sulfide through hydrogen binding for high energy lithium-sulfur batteries." ACS Applied Materials & Interfaces 9(5):4290-4295.  doi:10.1021/acsami.6b04158
  • Rajput NN, V Murugesan, Y Shin, KS Han, KC Lau, J Chen, J Liu, LA Curtiss, KT Mueller, and KA Persson. 2017. "Elucidating the Solvation Structure and Dynamics of Lithium Polysulfides resulting from Competitive Salt and Solvent Interactions." Chemistry of Materials 29(8):3375-3379.  doi:10.1021/acs.chemmater.7b00068


  • Chen J, KS Han, WA Henderson, KC Lau, M Vijayakumar, T Dzwiniel, H Pan, LA Curtiss, J Xiao, KT Mueller, Y Shao, and J Liu. 2016. "Restricting the Solubility of Polysulfides in Li-S Batteries Via Electrolyte Salt Selection." Advanced Energy Materials 6(11):Article No. 1600160.  doi:10.1002/aenm.201600160
  • Devaraj A, V Murugesan, J Bao, MF Guo, MA Derewinski, Z Xu, MJ Gray, S Prodinger, and KK Ramasamy. 2016. "Discerning the Location and Nature of Coke Deposition from Surface to Bulk of Spent Zeolite Catalysts." Scientific Reports 6:Article No. 37586.  doi:10.1038/srep37586
  • Duan W, VRS Vemuri, JD Milshtein, S Laramie, RD Dmello, J Huang, L Zhang, D Hu, M Vijayakumar, W Wang, J Liu, RE Darling, L Thompson, KC Smith, JS Moore, F Brushett, and X Wei. 2016. "A Symmetric Organic - Based Nonaqueous Redox Flow Battery and Its State of Charge Diagnostics by FTIR." Journal of Materials Chemistry A 4(15):5448-5456.  doi:10.1039/c6ta01177b
  • Han KS, NN Rajput, M Vijayakumar, X Wei, W Wang, JZ Hu, KA Persson, and KT Mueller. 2016. "Preferential Solvation of an Asymmetric Redox Molecule." Journal of Physical Chemistry C 120(49):27834-27839.  doi:10.1021/acs.jpcc.6b09114
  • Kumar GR, DA Savariraj, SN Karthick, S Selvam, B Balamuralitharan, HJ Kim, KK Viswanathan, M Vijayakumar, and K Prabakar. 2016. "Phase transition kinetics and surface binding states of methylammonium lead iodide perovskite." Physical Chemistry Chemical Physics. PCCP 18(10):7284-7292.  doi:10.1039/C5CP06232B
  • Savariraj DA, HJ Kim, KK Viswanathan, M Vijayakumar, and K Prabakar. 2016. "Growth mechanisms and origin of localized surface plasmon resonance coupled exciton effects in Cu2_xS thin films." RSC Advances 6(23):19034-19040.  doi:10.1039/C5RA26744G
  • Vijayakumar M, Q Luo, RB Lloyd, Z Nie, X Wei, B Li, VL Sprenkle, JD Londono, M Unlu, and W Wang. 2016. "Tuning the perfluorosulfonic acid membrane morphology for vanadium redox flow batteries." ACS Applied Materials & Interfaces 8(50):34327-34334.  doi:10.1021/acsami.6b10744


  • Wei X, L Cosimbescu, W Xu, JZ Hu, M Vijayakumar, J Feng, MY Hu, X Deng, J Xiao, J Liu, VL Sprenkle, and W Wang. 2015. "Towards High-Performance Nonaqueous Redox Flow Electrolyte through Ionic Modification of Active Species." Advanced Energy Materials 5(1):Article No. 1400678.  doi:10.1002/aenm.201400678
  • Cosimbescu L, X Wei, M Vijayakumar, W Xu, ML Helm, SD Burton, CM Sorensen, J Liu, VL Sprenkle, and W Wang. 2015. "Anion-Tunable Properties and Electrochemical Performance of Functionalized Ferrocene Compounds." Scientific Reports 5:14117.  doi:10.1038/srep14117
  • Kerisit SN, M Vijayakumar, KS Han, and KT Mueller. 2015. "Solvation structure and transport properties of alkali cations in dimethyl sulfoxide under exogenous static electric fields." Journal of Chemical Physics 142(22):224502.  doi:10.1063/1.4921982
  • Li B, Z Nie, M Vijayakumar, G Li, J Liu, VL Sprenkle, and W Wang. 2015. "Ambipolar zinc-polyiodide electrolyte for a high-energy density aqueous redox flow battery." Nature Communications 6:Article No. 6303.  doi:10.1038/ncomms7303
  • Savariraj DA, G Rajendrakumar, S Selvam, SN Karthick, B Balamuralitharan, HJ Kim, KK Viswanathan, M Vijayakumar, and K Prabakar. 2015. "Stacked Cu1.8S nanoplatelets as Counter Electrode for Quantum Dot-Sensitized Solar Cell." RSC Advances 5(122):100560 - 100567.  doi:10.1039/c5ra20965j
  • Vijayakumar M, N Govind, B Li, X Wei, Z Nie, S Thevuthasan, VL Sprenkle, and W Wang. 2015. "Aqua-vanadyl ion interaction with NafionŽ membranes." Frontiers in Energy Research 3:Article No. 10.  doi:10.3389/fenrg.2015.00010
  • Vijayakumar M, Z Nie, ED Walter, JZ Hu, J Liu, VL Sprenkle, and W Wang. 2015. "Understanding Aqueous Electrolyte Stability through Combined Computational and Magnetic Resonance Spectroscopy: A Case Study on Vanadium Redox Flow Battery Electrolytes." ChemPlusChem 80(2):428-437.  doi:10.1002/cplu.201402139
  • Wei X, W Xu, J Huang, L Zhang, ED Walter, CW Lawrence, M Vijayakumar, WA Henderson, TL Liu, L Cosimbescu, B Li, VL Sprenkle, and W Wang. 2015. "Radical Compatibility with Nonaqueous Electrolytes and Its Impact on an All-Organic Redox Flow Battery." Angewandte Chemie International Edition 127(30):8808-8811.  doi:10.1002/ange.201501443
  • Xiao J, JZ Hu, H Chen, M Vijayakumar, J Zheng, H Pan, ED Walter, MY Hu, X Deng, J Feng, BY Liaw, M Gu, Z Deng, D Lu, S Xu, CM Wang, and J Liu. 2015. "Following the Transient Reactions in Lithium-Sulfur Batteries Using In an In Situ Nuclear Magnetic Resonance Technique." Nano Letters 15(5):3309-3316.  doi:10.1021/acs.nanolett.5b00521


  • Vijayakumar M, B Schwenzer, V Shutthanandan, JZ Hu, J Liu, and IA Aksay. 2014. "Elucidating graphene - Ionic Liquid interfacial region: a combined experimental and computational study." Nano Energy 3:152-158.  doi:10.1016/j.nanoen.2012.09.014
  • Wei X, W Xu, M Vijayakumar, L Cosimbescu, TL Liu, VL Sprenkle, and W Wang. 2014. "TEMPO-based Catholyte for High Energy Density Nonaqueous Redox Flow Batteries." Advanced Materials 26(45):7649-7653.  doi: 10.1002/adma.201403746
  • Kerisit SN, B Schwenzer, and M Vijayakumar. 2014. "Effects of Oxygen-Containing Functional Groups on Supercapacitor Performance." Journal of Physical Chemistry Letters 5(13):2330-2334.  doi:10.1021/jz500900t
  • Motkuri RK, HV Annapureddy, M Vijayakumar, HT Schaef, PF Martin, BP McGrail, LX Dang, R Krishna, and PK Thallapally. 2014. "Fluorocarbon Adsorption in Hierarchical Porous Frameworks." Nature Communications 5:Article No. 4368.  doi:10.1038/ncomms5368
  • Schwenzer B, SN Kerisit, and M Vijayakumar. 2014. "Anion pairs in room temperature ionic liquids predicted by molecular dynamics simulation, verified by spectroscopic characterization." RSC Advances 4(11):5457-5460.  doi:10.1039/C3RA46069J
  • Vijayakumar M, N Govind, ED Walter, SD Burton, AK Shukla, A Devaraj, J Xiao, J Liu, CM Wang, AM Karim, and S Thevuthasan. 2014. "Molecular Structure and Stability of Dissolved Lithium Polysulfide Species." Physical Chemistry Chemical Physics. PCCP 16(22):10923-10932.  doi:10.1039/c4cp00889H


  • Vijayakumar M, and JZ Hu. 2013. "Exploring the interaction between lithium ion and defective graphene surface using dispersion corrected DFT studies." ECS Transactions 53(10):23-32.  doi:10.1149/05310.0023ecst
  • Vijayakumar M, W Wang, Z Nie, VL Sprenkle, and JZ Hu. 2013. "Elucidating the Higher Stability of Vanadium (V) Cations in Mixed Acid Based Redox Flow Battery Electrolytes." Journal of Power Sources 241:173-177.  doi:10.1016/j.jpowsour.2013.04.072


  • Alvine KJ, M Vijayakumar, ME Bowden, AL Schemer-Kohrn, and SG Pitman. 2012. "Hydrogen diffusion in Lead Zirconate Titanate and Barium Titanate." Journal of Applied Physics 112(4):Article No. 043511.  doi:10.1063/1.4748283
  • Vijayakumar M, L Li, Z Nie, Z Yang, and JZ Hu. 2012. "Structure and Stability of Hexa-Aqua V(III) Cations in Vanadium Redox Flow Battery Electrolytes." Physical Chemistry Chemical Physics. PCCP 14(29):10233-10242.  doi:10.1039/c2cp40707h
  • Vijayakumar M, B Schwenzer, S Kim, Z Yang, S Thevuthasan, J Liu, GL Graff, and JZ Hu. 2012. "Investigation of Local Environments in Nafion-SiO2 Composite Membranes used in Vanadium Redox Flow Batteries." Solid State Nuclear Magnetic Resonance 42:71-80.  doi:10.1016/j.ssnmr.2011.11.005


  • Vijayakumar M, SN Kerisit, KM Rosso, SD Burton, JA Sears, Jr, Z Yang, GL Graff, J Liu, and JZ Hu. 2011. "Lithium Diffusion in Li4Ti5O12 at High Temperatures." Journal of Power Sources 196(4):2211-2220. 
  • Choi D, J Xiao, YJ Choi, JS Hardy, M Vijayakumar, MS Bhuvaneswari, J Liu, W Xu, W Wang, Z Yang, GL Graff, and J Zhang. 2011. "Thermal Stability and Phase Transformation of Electrochemically Charged/Discharged LiMnPO4 Cathode for Li-Ion Battery." Energy & Environmental Science 4(11):4560-4566.  doi:10.1039/C1EE01501J
  • Li L, S Kim, W Wang, M Vijayakumar, Z Nie, B Chen, J Zhang, G Xia, JZ Hu, GL Graff, J Liu, and Z Yang. 2011. "A Stable Vanadium Redox-Flow Battery with High Energy Density for Large-scale Energy Storage." Advanced Energy Materials 1(3):394-400. 
  • Schwenzer B, S Kim, M Vijayakumar, Z Yang, and J Liu. 2011. "Correlation of Structural Differences between Nafion/Polyaniline and Nafion/Polypyrrole Composite Membranes and Observed Transport Properties." Journal of Membrane Science 372(1-2):11-19 .  doi:10.1016/j.memsci.2011.01.025
  • Vijayakumar M, L Li, GL Graff, J Liu, H Zhang, Z Yang, and JZ Hu. 2011. "Towards Understanding the Poor Thermal Stability of V5+ Electrolyte Solution in Vanadium Redox Flow Batteries." Journal of Power Sources 196(7):3669-3672.  doi:10.1016/j.jpowsour.2010.11.126
  • Vijayakumar M, BM Sivakumar, P Nachimuthu, B Schwenzer, S Kim, Z Yang, J Liu, GL Graff, S Thevuthasan, and JZ Hu. 2011. "Spectroscopic Investigations of the Fouling Process on Nafion Membranes in Vanadium Redox Flow Batteries." Journal of Membrane Science 366(1-2):325-334.  doi:10.1016/j.memsci.2010.10.018
  • Zhang J, L Li, Z Nie, B Chen, M Vijayakumar, S Kim, W Wang, B Schwenzer, J Liu, and Z Yang. 2011. "Effects of additives on the stability of electrolytes for all-vanadium redox flow batteries." Journal of Applied Electrochemistry 41(10 - Special Issue S1):1215-1221.  doi:10.1007/s10800-011-0312-1


  • Vijayakumar M, SD Burton, C Huang, L Li, Z Yang, GL Graff, J Liu, JZ Hu, and M Skyllas-Kazacos. 2010. "Nuclear Magnetic Resonance Studies on Vanadium(IV) Electrolyte Solutions for Vanadium Redox Flow Battery ." Journal of Power Sources 195(22 SP ISS):7709-7717. 


  • Vijayakumar M, SN Kerisit, Z Yang, GL Graff, J Liu, JA Sears, Jr, SD Burton, KM Rosso, and JZ Hu. 2009. "A Combined 6,7Li NMR and Molecular Dynamics Study of Li Diffusion in Li2TiO3." Journal of Physical Chemistry C 113(46):20108-20116.  doi:10.1021/jp9072125
  • Vijayakumar M, SN Kerisit, CM Wang, Z Nie, KM Rosso, Z Yang, GL Graff, J Liu, and JZ Hu. 2009. "Effect of Chemical Lithium Intercalation into Rutile TiO2 Nanorods." Journal of Physical Chemistry C 113(32):14567-14574.  doi:10.1021/jp904148z

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