panchapakesan ganesh 
materials theory and computation
 

Research and Development Staff Scientist

Center for Nanophase Materials Sciences

Oak Ridge National Laboratory

Tel: 1-865-574-1999

Fax:1-865-574-1999

Email: ganeshp AT ornl.gov

Google Scholar Citations


Publications:


  1. Bullet“Understanding the Interactions Between Oxygen Vacancies at SrTiO3 (001) Surfaces”, H. L. Zhuang*, P. Ganesh*, Valentino Cooper, H. Xu and P. R. C. Kent, accepted in Phys. Rev. B (2014)


  1. Bullet“Binding and Diffusion of Lithium in Graphite: Quantum Monte-Carlo benchmarks and validation of van der Waals density functional methods”, P. Ganesh, J. Kim, C. Park, M. Yoon, F. A. Reboredo and P. R. C. Kent, submitted to JCTC (2014)


  1. BulletThe Role of Random Electric Fields in Relaxors”, D. Phelan, C. Stock, J. A. Rodriguez-Rivera, S. Chi, J. Leao, X. Long, Y. Xie, A. A. Bokov, Z-G.Ye, P. Ganesh and P. M. Gehring, (accepted in PNAS)


  1. Bullet“Spin Resolved Self Doping Tunes the Intrinsic Half-Metallicity of AlN Nanoribbons”, Alejandro Lopez-Bezanilla*, P. Ganesh*, P. R. C. Kent and Bobby G. Sumpter, Nano Research, 7, 63 (2014)


  1. Bullet“Understanding the origin of high-rate intercalation pseudocapacitance in Nb2O5 crystals”, Andrew A. Lubimtsev, P. R. C. Kent, B. Sumpter, P. Ganesh, J. Mater. Chem. A, 2013,1, 14951-14956 (2013)


  1. Bullet“Ionic Disproportionation of Charge Transfer Salt Driven by Surface Epitaxy”, G. Rojas, P. Ganesh, S. Kelly, B. Sumpter, J. Schlueter and P. Maksymovich, J. Phys. Chem. C, 117, 19402 (2013)


  1. Bullet“Oxygen Control of Atomic Structure and Physical Properties of SrRuO3 Surfaces”, Alexander Tselev, P. Ganesh, Liang Qiao, Wolter Siemons, Zheng Gai, Michael D. Biegalski, Arthur P. Baddorf and Sergei Kalinin, ACS Nano, 7, 4403 (2013)


  1. Bullet“Intrinsic thermodynamic and kinetic properties of Sb electrodes for Li-ion and Na-ion batteries: experiment and theory”, Loic Bagetto, P. Ganesh, Che-Nan Sun, R. A. Meisner, Thomas A. Zawodzinski and G. M. Veith, J. Materials Chemistry A, 1, 7985 (2013)


  1. Bullet“Structure–activity relationship of Au/ZrO2 catalyst on formation of hydroxyl groups and its influence on CO oxidation”, Christopher J. Karwacki, P. Ganesh, Paul R. C. Kent, Wesley Gordon, Jun Jie Niu and Yury Gogotsi, J. Materials Chemistry A, 1, 6051 (2013)

  2. Bullet“Characterization of sodium ion electrochemical reaction with tin anodes: Experiment and theory”, Loic Bagetto, P. Ganesh, Roberta Meissner, Raymond Unocic, Craig Bridges, Jean-Claude Dumas and Gabriel Veith, Journal of Power Sources 234, 48 (2013)


  1. Bullet“Solid−Electrolyte Interphase Formation and Electrolyte Reduction at Li-Ion Battery Graphite Anodes: Insights from First-Principles Molecular Dynamics”,P. Ganesh, P. R. C. Kent and De-en Jiang, J. Phys. Chem. C 116, 24476 (2012)


  1. Bullet“Understanding Controls on Interfacial Wetting at Epitaxial Graphene:Experiment and Theory”, H. Zou*, P. Ganesh*, V. Presser, M. C. F. Wander, Paul Fenter, P. R. C. Kent, De-en Jiang, Ariel Chialvo, J. McDonough, K. Shuford and Yuri Gogotsi, Phys. Phys. Rev. B 85, 035406 (2012)


  1. Bullet“Crystal Structures of (Mg1-x,Fex)SiO3 Post-Perovskite at High Pressures”, T. Yamanaka, K. Hirose, W. Mao, Y. Meng, P. Ganesh, L. Shulenburger, G. Shen, Russell J. Hemley, PNAS 10, 1073 (2012)


  1. Bullet“New Compound Formation and Hydrogen-Bonding Enhancement and Ordering in H2S-H2, T. Strobel*, P. Ganesh*, P. R. C. Kent and Russell J. Hemley, Phys. Rev. Lett. 107, 255503 (2011)


  1. Bullet“Role of Hydroxyls on the Adsorption and Activity of Au Nano-Particles on Rutile Surface”P. Ganesh, P. R. C. Kent and G. M. Veith, J. Phys. Chem. Lett. 2, 2918 (2011)


  1. Bullet“Formation, Characterization and Dynamics of Multi-Shell Carbon Nano-Structures for Supercapacitors from Nano-Diamonds using Reactive Force-Fields", P. Ganesh, P. R. C. Kent and V. Mochalin, J. Appl. Phys. 110, 073506 (2011)


  1. Bullet“Accurate Static and Dynamic Properties of Liquid Electrolytes for Li-ion Batteries from ab initio Molecular Dynamics”, P. Ganesh, De-en Jiang and P. R. C. Kent, Journal of Physical Chemistry B 115, 3085 (2011)


  1. Bullet“Orbital-Ordering, Ferroelasticity and the Large Pressure Induced Volume Collapse in PbCrO3, P. Ganesh and R. E. Cohen, Phys. Rev. B 83, 172102 (2011)


  1. Bullet“Origin of Diffuse Scattering in Relaxor Ferroelectrics”, P. Ganesh, E. Cockayne, M. Ahart, R. E. Cohen, B. Burton, Russell J. Hemley, Yang Ren, Wenge Yang and Z.-G. Ye, Phys. Rev. B 81, 144102 (2010)


  1. Bullet“First Principles Coexistence Simulations of Supercooled Liquid Silicon”, P. Ganesh and M. Widom, Journal of Non-Crystalline Solids 357, 442 (2010)


  1. Bullet“Liquid-Liquid Transition in Supercooled Silicon Determined by First-Principles Simulation”, P. Ganesh and M. Widom, Phys. Rev. Lett. 102, 075701 (2009) (chosen as “Editor’s Suggestion”)


  1. Bullet“Finite-Electric Field Study of Pressure Effects on Polarization Rotation in PbTiO3P. Ganesh and R. E. Cohen, MRS Proceedings, 1199, 1199-F11-06 doi:10.1557/PROC-1199-F11-06 (2009)


  1. Bullet“First Principles Simulation of Supercooled Liquid Alloys”, M. Widom, P. Ganesh, S. Kazimirov, D. Louca and M. Mihalkovič, J. Phys. Condens. Matter 20, 114114 (2008)


  1. Bullet“Search for New Piezoelectrics”, P. Ganesh and R. E. Cohen, MRS Proceedings, 1110, 1110-C01-07 doi:10.1557/PROC-1110-C01-07 (2008)


  1. Bullet“Origin of Morphotropic Phase Boundaries in Ferroelectrics”, M. Ahart, M. Somayazulu, R. E. Cohen, P. Ganesh, P. Dera, H.-K. Mao, Russell J. Hemley, Yang Ren, Peter Liermann and Zhigang Wu, Nature 451, 545-548 (31 January 2008)


  1. Bullet“Pressure Induced Phase Transition in PbTiO3, P. Ganesh and R. E. Cohen, J. Phys: Condens. Matter 21, 064225 (2008)


  1. Bullet“Ab initio Simulations of Geometric Frustration in Supercooled Liquid Fe and Fe-based Metallic Glass”, P. Ganesh and M. Widom, Phys. Rev. B 77, 014205 (2008)


  1. Bullet“Signature of Nearly Icosahedral Structures in Liquid and Supercooled Liquid Copper”, P. Ganesh and M. Widom, Phys. Rev. B 74, 134205 (2006)


  1. Bullet“Empirical Oscillating Potentials for Alloys from ab initio Fits”, M. Mihalkovic, C. L. Henley, M. Widom and P. Ganesh, arXiv:0802.2926 (2008)


Patents:


        "New Class of Pure Piezoelectric Materials", R. E. Cohen and P. Ganesh (2011)

© Copyright, P. Ganesh, ORNL, Thursday, July 24, 2014