Panchapakesan Ganesh - Publications

Affiliations: 
Oak Ridge National Laboratory, Oak Ridge, TN, United States 

63 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Shin H, Ganesh P, Kent PRC, Benali A, Bhattacharya A, Lee HN, Heinonen O, Krogel JT. DFT+ and quantum Monte Carlo study of electronic and optical properties of AgNiO and AgNiCoO delafossite. Physical Chemistry Chemical Physics : Pccp. PMID 38334756 DOI: 10.1039/d3cp03477a  0.544
2020 Lu Q, Sohn C, Hu G, Gao X, Chisholm MF, Kylänpää I, Krogel JT, Kent PRC, Heinonen O, Ganesh P, Lee HN. Metal-insulator transition tuned by oxygen vacancy migration across TiO/VO interface. Scientific Reports. 10: 18554. PMID 33122724 DOI: 10.1038/s41598-020-75695-1  0.558
2020 Dziaugys A, Kelley K, Brehm JA, Tao L, Puretzky A, Feng T, O'Hara A, Neumayer S, Chyasnavichyus M, Eliseev EA, Banys J, Vysochanskii Y, Ye F, Chakoumakos BC, Susner MA, ... ... Ganesh P, et al. Piezoelectric domain walls in van der Waals antiferroelectric CuInPSe. Nature Communications. 11: 3623. PMID 32681040 DOI: 10.1038/S41467-020-17137-0  0.33
2020 Ok JM, Yoon S, Lupini AR, Ganesh P, Chisholm MF, Lee HN. Interfacial stabilization for epitaxial CuCrO delafossites. Scientific Reports. 10: 11375. PMID 32647337 DOI: 10.1038/S41598-020-68275-W  0.393
2020 Lingerfelt DB, Ganesh P, Jakowski J, Sumpter BG. Understanding Beam Induced Electronic Excitations in Materials. Journal of Chemical Theory and Computation. PMID 31899635 DOI: 10.1021/Acs.Jctc.9B00792  0.333
2020 Wrobel F, Park H, Sohn C, Hsiao H, Zuo J, Shin H, Lee HN, Ganesh P, Benali A, Kent PRC, Heinonen O, Bhattacharya A. Doped NiO: The mottness of a charge transfer insulator Physical Review B. 101. DOI: 10.1103/Physrevb.101.195128  0.559
2020 Ganesh P, Lechermann F, Kylänpää I, Krogel JT, Kent PRC, Heinonen O. Doping a bad metal: Origin of suppression of the metal-insulator transition in nonstoichiometric VO2 Physical Review B. 101. DOI: 10.1103/Physrevb.101.155129  0.509
2019 Brehm JA, Neumayer SM, Tao L, O'Hara A, Chyasnavichus M, Susner MA, McGuire MA, Kalinin SV, Jesse S, Ganesh P, Pantelides ST, Maksymovych P, Balke N. Tunable quadruple-well ferroelectric van der Waals crystals. Nature Materials. PMID 31740791 DOI: 10.1038/S41563-019-0532-Z  0.366
2019 Akbarian D, Yilmaz DE, Cao Y, Ganesh P, Dabo I, Munro J, Van Ginhoven R, van Duin ACT. Understanding the influence of defects and surface chemistry on ferroelectric switching: a ReaxFF investigation of BaTiO. Physical Chemistry Chemical Physics : Pccp. PMID 31393478 DOI: 10.1039/C9Cp02955A  0.371
2019 Allaire RH, Dhakane A, Emery R, Ganesh P, Rack PD, Kondic L, Cummings L, Fuentes-Cabrera M. Surface, Interface, and Temperature Effects on the Phase Separation and Nanoparticle Self Assembly of Bi-Metallic Ni0.5Ag0.5: A Molecular Dynamics Study. Nanomaterials (Basel, Switzerland). 9. PMID 31330888 DOI: 10.3390/Nano9071040  0.352
2019 Wrobel F, Shin H, Sterbinsky GE, Hsiao HW, Zuo JM, Ganesh P, Krogel JT, Benali A, Kent PRC, Heinonen O, Bhattacharya A. Local structure of potassium doped nickel oxide: A combined experimental-theoretical study Physical Review Materials. 3: 115003. DOI: 10.1103/Physrevmaterials.3.115003  0.533
2018 Sharma Y, Balachandran J, Sohn C, Krogel JT, Ganesh P, Collins L, Ievlev AV, Li Q, Gao X, Balke N, Ovchinnikova OS, Kalinin SV, Heinonen O, Lee HN. Nanoscale Control of Oxygen Defects and Metal-Insulator Transition in Epitaxial Vanadium Dioxides. Acs Nano. PMID 29906092 DOI: 10.1021/Acsnano.8B03031  0.39
2018 Ding J, Balachandran J, Sang X, Guo W, Veith GM, Bridges CA, Rouleau CM, Poplawsky JD, Bassiri-Gharb N, Ganesh P, Unocic RR. Influence of Non-stoichiometry on Proton Conductivity in Thin Film Yttrium-doped Barium Zirconate. Acs Applied Materials & Interfaces. PMID 29322765 DOI: 10.1021/Acsami.7B16900  0.349
2018 Vasudevan RK, Dixit H, Tselev A, Qiao L, Meyer TL, Cooper VR, Baddorf AP, Lee HN, Ganesh P, Kalinin SV. Surface reconstructions and modified surface states in La1−xCaxMnO3 Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.104418  0.557
2018 Zhang L, Bredeson I, Birenbaum AY, Kent PRC, Cooper VR, Ganesh P, Xu H. Oxygen vacancy formation energies in PbTiO3/SrTiO3 superlattice Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.064409  0.712
2018 Ding J, Balachandran J, Sang X, Guo W, Anchell JS, Veith GM, Bridges CA, Cheng Y, Rouleau CM, Poplawsky JD, Bassiri-Gharb N, Unocic RR, Ganesh P. The Influence of Local Distortions on Proton Mobility in Acceptor Doped Perovskites Chemistry of Materials. 30: 4919-4925. DOI: 10.1021/Acs.Chemmater.8B00502  0.348
2017 Susner MA, Chyasnavichyus M, McGuire MA, Ganesh P, Maksymovych P. Metal Thio- and Selenophosphates as Multifunctional van der Waals Layered Materials. Advanced Materials (Deerfield Beach, Fla.). PMID 28833546 DOI: 10.1002/Adma.201602852  0.363
2017 Susner MA, Chyasnavichyus M, Puretzky AA, He Q, Conner BS, Ren Y, Cullen DA, Ganesh P, Shin D, Demir H, McMurray JW, Borisevich AY, Maksymovych P, McGuire MA. Cation-Eutectic Transition Via Sublattice Melting in CuInP2S6/In4/3P2S6 van der Waals Layered Crystals. Acs Nano. PMID 28686418 DOI: 10.1021/Acsnano.7B02695  0.32
2017 Lee S, Sun XG, Lubimtsev AA, Gao X, Ganesh P, Ward TZ, Eres G, Chisholm MF, Dai S, Lee HN. Persistent Electrochemical Performance in Epitaxial VO2(B). Nano Letters. PMID 28266858 DOI: 10.1021/Acs.Nanolett.6B04831  0.357
2017 Shin H, Luo Y, Ganesh P, Balachandran J, Krogel JT, Kent PRC, Benali A, Heinonen O. Electronic properties of doped and defective NiO: A quantum Monte Carlo study Physical Review Materials. 1: 73603. DOI: 10.1103/Physrevmaterials.1.073603  0.54
2017 Kylänpää I, Balachandran J, Ganesh P, Heinonen O, Kent PRC, Krogel JT. Accuracy of ab initio electron correlation and electron densities in vanadium dioxide Physical Review Materials. 1: 65408. DOI: 10.1103/Physrevmaterials.1.065408  0.582
2017 Dathar GKP, Balachandran J, Kent PRC, Rondinone AJ, Ganesh P. Li-ion site disorder driven superionic conductivity in solid electrolytes: a first-principles investigation of β-Li3PS4 Journal of Materials Chemistry. 5: 1153-1159. DOI: 10.1039/C6Ta07713G  0.545
2017 Balachandran J, Lin L, Anchell JS, Bridges CA, Ganesh P. Defect Genome of Cubic Perovskites for Fuel Cell Applications The Journal of Physical Chemistry C. 121: 26637-26647. DOI: 10.1021/Acs.Jpcc.7B08716  0.32
2016 Jeon S, Doak PW, Sumpter BG, Ganesh P, Maksymovych P. Thermodynamic Control of Two-Dimensional Molecular Ionic Nanostructures on Metal Surfaces. Acs Nano. PMID 27458890 DOI: 10.1021/Acsnano.6B03492  0.367
2016 Zhuang HL, Zhang L, Xu H, Kent PR, Ganesh P, Cooper VR. Tunable one-dimensional electron gas carrier densities at nanostructured oxide interfaces. Scientific Reports. 6: 25452. PMID 27151049 DOI: 10.1038/Srep25452  0.758
2016 Alexander KC, Ganesh P, Chi M, Kent P, Sumpter BG. Grain boundary stability and influence on ionic conductivity in a disordered perovskite -- a first-principles investigation of lithium lanthanum titanate Mrs Communications. 6: 455-463. DOI: 10.1557/Mrc.2016.58  0.53
2016 Lin MW, Zhuang HL, Yan J, Ward TZ, Puretzky AA, Rouleau CM, Gai Z, Liang L, Meunier V, Sumpter BG, Ganesh P, Kent PRC, Geohegan DB, Mandrus DG, Xiao K. Ultrathin nanosheets of CrSiTe3: A semiconducting two-dimensional ferromagnetic material Journal of Materials Chemistry C. 4: 315-322. DOI: 10.1039/C5Tc03463A  0.681
2016 Zhang L, Liu B, Zhuang H, Kent PRC, Cooper VR, Ganesh P, Xu H. Oxygen vacancy diffusion in bulk SrTiO3 from density functional theory calculations Computational Materials Science. 118: 309-315. DOI: 10.1016/J.Commatsci.2016.02.041  0.747
2015 Borodin O, Olguin M, Ganesh P, Kent PR, Allen JL, Henderson WA. Competitive lithium solvation of linear and cyclic carbonates from quantum chemistry. Physical Chemistry Chemical Physics : Pccp. PMID 26601903 DOI: 10.1039/C5Cp05121E  0.541
2015 Raju M, Ganesh P, Kent PR, van Duin AC. Reactive Force Field Study of Li/C Systems for Electrical Energy Storage. Journal of Chemical Theory and Computation. 11: 2156-66. PMID 26574418 DOI: 10.1021/Ct501027V  0.575
2015 Susner MA, Belianinov A, Borisevich A, He Q, Chyasnavichyus M, Demir H, Sholl DS, Ganesh P, Abernathy DL, McGuire MA, Maksymovych P. High Tc Layered Ferrielectric Crystals by Coherent Spinodal Decomposition. Acs Nano. PMID 26566107 DOI: 10.1021/Acsnano.5B05682  0.386
2015 Achtyl JL, Unocic RR, Xu L, Cai Y, Raju M, Zhang W, Sacci RL, Vlassiouk IV, Fulvio PF, Ganesh P, Wesolowski DJ, Dai S, van Duin AC, Neurock M, Geiger FM. Aqueous proton transfer across single-layer graphene. Nature Communications. 6: 6539. PMID 25781149 DOI: 10.1038/Ncomms7539  0.329
2015 Tselev A, Vasudevan RK, Gianfrancesco AG, Qiao L, Ganesh P, Meyer TL, Lee HN, Biegalski MD, Baddorf AP, Kalinin SV. Surface Control of Epitaxial Manganite Films via Oxygen Pressure. Acs Nano. 9: 4316-27. PMID 25758864 DOI: 10.1021/Acsnano.5B00743  0.313
2015 Srinivasan SG, van Duin AC, Ganesh P. Development of a ReaxFF potential for carbon condensed phases and its application to the thermal fragmentation of a large fullerene. The Journal of Physical Chemistry. A. 119: 571-80. PMID 25562718 DOI: 10.1021/Jp510274E  0.346
2015 Zhuang HL, Cooper VR, Xu H, Ganesh P, Hennig RG, Kent PRC. Rashba effect in single-layer antimony telluroiodide SbTeI Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.115302  0.742
2015 Lopez-Bezanilla A, Ganesh P, Littlewood PB. Magnetism and Metal-Insulator Transition in Oxygen Deficient SrTiO3 Physical Review B. 92. DOI: 10.1103/Physrevb.92.115112  0.395
2015 Zhuang HL, Xie Y, Kent PRC, Ganesh P. Computational discovery of ferromagnetic semiconducting single-layer CrSnTe3 Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.035407  0.701
2015 Lopez-Bezanilla A, Ganesh P, Littlewood PB. Research Update: Plentiful magnetic moments in oxygen deficient SrTiO3 Apl Materials. 3: 100701. DOI: 10.1063/1.4932347  0.381
2015 Nazarian D, Ganesh P, Sholl DS. Benchmarking density functional theory predictions of framework structures and properties in a chemically diverse test set of metal-organic frameworks Journal of Materials Chemistry A. 3: 22432-22440. DOI: 10.1039/C5Ta03864B  0.31
2014 Ganesh P, Kim J, Park C, Yoon M, Reboredo FA, Kent PR. Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods. Journal of Chemical Theory and Computation. 10: 5318-5323. PMID 26583215 DOI: 10.1021/Ct500617Z  0.571
2014 Phelan D, Stock C, Rodriguez-Rivera JA, Chi S, Leão J, Long X, Xie Y, Bokov AA, Ye ZG, Ganesh P, Gehring PM. Role of random electric fields in relaxors. Proceedings of the National Academy of Sciences of the United States of America. 111: 1754-9. PMID 24449912 DOI: 10.1073/Pnas.1314780111  0.302
2014 Zhuang HL, Ganesh P, Cooper VR, Xu H, Kent PRC. Understanding the interactions between oxygen vacancies at SrTiO3 (001) surfaces Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.064106  0.724
2014 Belianinov A, Ganesh P, Lin W, Sales BC, Sefat AS, Jesse S, Pan M, Kalinin SV. Research update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis Apl Materials. 2. DOI: 10.1063/1.4902996  0.309
2014 Lopez-Bezanilla A, Ganesh P, Kent PRC, Sumpter BG. Spin-resolved self-doping tunes the intrinsic half-metallicity of AlN nanoribbons Nano Research. 7: 63-70. DOI: 10.1007/S12274-013-0371-1  0.562
2013 Tselev A, Ganesh P, Qiao L, Siemons W, Gai Z, Biegalski MD, Baddorf AP, Kalinin SV. Oxygen control of atomic structure and physical properties of SrRuO3 surfaces. Acs Nano. 7: 4403-13. PMID 23570268 DOI: 10.1021/Nn400923N  0.392
2013 Lubimtsev AA, Kent PRC, Sumpter BG, Ganesh P. Understanding the origin of high-rate intercalation pseudocapacitance in Nb2O5 crystals Journal of Materials Chemistry A. 1: 14951-14956. DOI: 10.1039/C3Ta13316H  0.583
2013 Baggetto L, Ganesh P, Sun CN, Meisner RA, Zawodzinski TA, Veith GM. Intrinsic thermodynamic and kinetic properties of Sb electrodes for Li-ion and Na-ion batteries: Experiment and theory Journal of Materials Chemistry A. 1: 7985-7994. DOI: 10.1039/C3Ta11568B  0.34
2013 Karwacki CJ, Ganesh P, Kent PRC, Gordon WO, Peterson GW, Niu JJ, Gogotsi Y. Structure-activity relationship of Au/ZrO2 catalyst on formation of hydroxyl groups and its influence on CO oxidation Journal of Materials Chemistry A. 1: 6051-6062. DOI: 10.1039/C3Ta00081H  0.531
2013 Tselev A, Ganesh P, Qiao L, Siemons W, Gai Z, Biegalski MD, Baddorf AP, Kalinin SV. Correction to Oxygen Control of Atomic Structure and Physical Properties of SrRuO3 Surfaces Acs Nano. 7: 10434-10434. DOI: 10.1021/Nn405455P  0.315
2013 Rojas GA, Ganesh P, Kelly SJ, Sumpter BG, Schlueter JA, Maksymovych P. Ionic disproportionation of charge transfer salt driven by surface epitaxy Journal of Physical Chemistry C. 117: 19402-19408. DOI: 10.1021/Jp404622P  0.346
2013 Baggetto L, Ganesh P, Meisner RP, Unocic RR, Jumas JC, Bridges CA, Veith GM. Characterization of sodium ion electrochemical reaction with tin anodes: Experiment and theory Journal of Power Sources. 234: 48-59. DOI: 10.1016/J.Jpowsour.2013.01.083  0.337
2012 Zhou H, Ganesh P, Presser V, Wander MCF, Fenter P, Kent PRC, Jiang D, Chialvo AA, McDonough J, Shuford KL, Gogotsi Y. Understanding controls on interfacial wetting at epitaxial graphene: Experiment and theory Physical Review B. 85. DOI: 10.1103/Physrevb.85.035406  0.543
2012 Ganesh P, Kent PRC, Jiang D. Solid–Electrolyte Interphase Formation and Electrolyte Reduction at Li-Ion Battery Graphite Anodes: Insights from First-Principles Molecular Dynamics Journal of Physical Chemistry C. 116: 24476-24481. DOI: 10.1021/Jp3086304  0.579
2011 Ganesh P, Jiang DE, Kent PR. Accurate static and dynamic properties of liquid electrolytes for Li-ion batteries from ab initio molecular dynamics. The Journal of Physical Chemistry. B. 115: 3085-90. PMID 21384941 DOI: 10.1021/Jp2003529  0.55
2011 Strobel TA, Ganesh P, Somayazulu M, Kent PRC, Hemley RJ. Novel cooperative interactions and structural ordering in H 2S-H 2 Physical Review Letters. 107. DOI: 10.1103/PhysRevLett.107.255503  0.423
2011 Ganesh P, Cohen RE. Orbital ordering, ferroelasticity, and the large pressure-induced volume collapse in PbCrO3 Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.172102  0.355
2011 Ganesh P, Kent PR, Mochalin VN. Formation, characterization, and dynamics of onion-like carbon structures for electrical energy storage from nanodiamonds using reactive force fields Journal of Applied Physics. 110: 73506. DOI: 10.1063/1.3641984  0.559
2011 Ganesh P, Kent PRC, Veith GM. Role of hydroxyl groups on the stability and catalytic activity of Au clusters on a rutile surface Journal of Physical Chemistry Letters. 2: 2918-2924. DOI: 10.1021/Jz2013177  0.537
2011 Ganesh P, Widom M. First-principles coexistence simulations of supercooled liquid silicon Journal of Non-Crystalline Solids. 357: 442-445. DOI: 10.1016/J.Jnoncrysol.2010.06.067  0.319
2009 Ganesh P, Cohen RE. Pressure induced phase transitions in PbTiO(3). Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 064225. PMID 21715927 DOI: 10.1088/0953-8984/21/6/064225  0.308
2009 Ganesh P, Widom M. Liquid-liquid transition in supercooled silicon determined by first-principles simulation Physical Review Letters. 102. DOI: 10.1103/Physrevlett.102.075701  0.306
2008 Ahart M, Somayazulu M, Cohen RE, Ganesh P, Dera P, Mao HK, Hemley RJ, Ren Y, Liermann P, Wu Z. Origin of morphotropic phase boundaries in ferroelectrics. Nature. 451: 545-8. PMID 18235495 DOI: 10.1038/Nature06459  0.309
2008 Ganesh P, Cohen R. Search For New Piezoelectrics Mrs Proceedings. 1110. DOI: 10.1557/Proc-1110-C01-07  0.346
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