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Fundamental and Computational Sciences Directorate

Staff information


Vijay Murugesan

Materials Sciences
Pacific Northwest National Laboratory
PO Box 999
MSIN: K8-93
Richland, WA 99352

PNNL Publications


  • 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
  • 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
  • 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


  • 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, 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, 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


  • 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
  • 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. 
  • 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
  • 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, 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. 
  • 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, 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
  • 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

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