Shyue Ping Ong - Publications

Affiliations: 
2006-2011 NanoEngineering University of California, San Diego, La Jolla, CA 

62 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
2020 Zuo Y, Chen C, Li XG, Deng Z, Chen Y, Behler J, Csányi G, Shapeev AV, Thompson AP, Wood MA, Ong SP. A Performance and Cost Assessment of Machine Learning Interatomic Potentials. The Journal of Physical Chemistry. A. PMID 31916773 DOI: 10.1021/acs.jpca.9b08723  0.52
2019 Wang W, Tran R, Qu J, Liu Y, Chen C, Xu M, Chen Y, Ong SP, Wang L, Zhou W, Shao Z. Chlorine-Doped Perovskite Oxide: A Platinum-Free Cathode for Dye-Sensitized Solar Cells. Acs Applied Materials & Interfaces. PMID 31532199 DOI: 10.1021/acsami.9b07966  0.36
2018 Mathew K, Zheng C, Winston D, Chen C, Dozier A, Rehr JJ, Ong SP, Persson KA. High-throughput computational X-ray absorption spectroscopy. Scientific Data. 5: 180151. PMID 30063226 DOI: 10.1038/sdata.2018.151  0.48
2018 Chu IH, Nguyen H, Hy S, Lin YC, Wang Z, Xu Z, Deng Z, Meng YS, Ong SP. Correction to Insights into the Performance Limits of the LiPSSuperionic Conductor: A Combined First-Principles and Experimental Study. Acs Applied Materials & Interfaces. PMID 29553708 DOI: 10.1021/acsami.8b03438  0.52
2016 Sun W, Dacek ST, Ong SP, Hautier G, Jain A, Richards WD, Gamst AC, Persson KA, Ceder G. The thermodynamic scale of inorganic crystalline metastability. Science Advances. 2: e1600225. PMID 28138514 DOI: 10.1126/sciadv.1600225  1
2016 Chu IH, Kompella CS, Nguyen H, Zhu Z, Hy S, Deng Z, Meng YS, Ong SP. Room-Temperature All-solid-state Rechargeable Sodium-ion Batteries with a Cl-doped Na3PS4 Superionic Conductor. Scientific Reports. 6: 33733. PMID 27645565 DOI: 10.1038/srep33733  1
2016 Tran R, Xu Z, Radhakrishnan B, Winston D, Sun W, Persson KA, Ong SP. Surface energies of elemental crystals. Scientific Data. 3: 160080. PMID 27622853 DOI: 10.1038/sdata.2016.80  1
2016 Richards WD, Tsujimura T, Miara LJ, Wang Y, Kim JC, Ong SP, Uechi I, Suzuki N, Ceder G. Design and synthesis of the superionic conductor Na10SnP2S12. Nature Communications. 7: 11009. PMID 26984102 DOI: 10.1038/ncomms11009  1
2016 Chu IH, Nguyen H, Hy S, Lin YC, Wang Z, Xu Z, Deng Z, Meng YS, Ong SP. Insights into the Performance Limits of the Li7P3S11 Superionic Conductor: A Combined First-Principles and Experimental Study. Acs Applied Materials & Interfaces. PMID 26950604 DOI: 10.1021/acsami.6b00833  1
2016 Huang Y, Lin YC, Jenkins DM, Chernova NA, Chung Y, Radhakrishnan B, Chu IH, Fang J, Wang Q, Omenya F, Ong SP, Whittingham MS. Thermal stability and reactivity of cathode materials for Li-ion batteries. Acs Applied Materials & Interfaces. PMID 26915096 DOI: 10.1021/acsami.5b12081  1
2016 Jain A, Hautier G, Ong SP, Persson K. New opportunities for materials informatics: Resources and data mining techniques for uncovering hidden relationships Journal of Materials Research. 31: 977-994. DOI: 10.1557/jmr.2016.80  1
2016 Nguyen H, Hy S, Wu E, Deng Z, Samiee M, Yersak T, Luo J, Ong SP, Meng YS. Experimental and computational evaluation of a sodium-rich anti-perovskite for solid state electrolytes Journal of the Electrochemical Society. 163: A2165-A2171. DOI: 10.1149/2.0091610jes  1
2016 Deng Z, Wang Z, Chu IH, Luo J, Ong SP. Elastic properties of alkali superionic conductor electrolytes from first principles calculations Journal of the Electrochemical Society. 163: A67-A74. DOI: 10.1149/2.0061602jes  1
2016 Wangoh LW, Sallis S, Wiaderek KM, Lin YC, Wen B, Quackenbush NF, Chernova NA, Guo J, Ma L, Wu T, Lee TL, Schlueter C, Ong SP, Chapman KW, Whittingham MS, et al. Uniform second Li ion intercalation in solid state Ïμ -LiVOPO4 Applied Physics Letters. 109. DOI: 10.1063/1.4960452  1
2016 Dunstan MT, Jain A, Liu W, Ong SP, Liu T, Lee J, Persson KA, Scott SA, Dennis JS, Grey CP. Large scale computational screening and experimental discovery of novel materials for high temperature CO2 capture Energy and Environmental Science. 9: 1346-1360. DOI: 10.1039/c5ee03253a  1
2016 Deng Z, Mo Y, Ong SP. Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries Npg Asia Materials. 8. DOI: 10.1038/am.2016.7  1
2016 Wen B, Wang Q, Lin Y, Chernova NA, Karki K, Chung Y, Omenya F, Sallis S, Piper LFJ, Ong SP, Whittingham MS. Molybdenum Substituted Vanadyl Phosphate ϵ-VOPO4 with Enhanced Two-Electron Transfer Reversibility and Kinetics for Lithium-Ion Batteries Chemistry of Materials. 28: 3159-3170. DOI: 10.1021/acs.chemmater.6b00891  1
2016 Lin YC, Wen B, Wiaderek KM, Sallis S, Liu H, Lapidus SH, Borkiewicz OJ, Quackenbush NF, Chernova NA, Karki K, Omenya F, Chupas PJ, Piper LFJ, Whittingham MS, Chapman KW, ... Ong SP, et al. Thermodynamics, Kinetics and Structural Evolution of ε-LiVOPO4 over Multiple Lithium Intercalation Chemistry of Materials. 28: 1794-1805. DOI: 10.1021/acs.chemmater.5b04880  1
2016 Ha J, Wang Z, Novitskaya E, Hirata GA, Graeve OA, Ong SP, McKittrick J. An integrated first principles and experimental investigation of the relationship between structural rigidity and quantum efficiency in phosphors for solid state lighting Journal of Luminescence. 179: 297-305. DOI: 10.1016/j.jlumin.2016.07.006  1
2016 Tran R, Xu Z, Zhou N, Radhakrishnan B, Luo J, Ong SP. Computational study of metallic dopant segregation and embrittlement at molybdenum grain boundaries Acta Materialia. 117: 91-99. DOI: 10.1016/j.actamat.2016.07.005  1
2015 Wang Y, Richards WD, Ong SP, Miara LJ, Kim JC, Mo Y, Ceder G. Design principles for solid-state lithium superionic conductors. Nature Materials. PMID 26280225 DOI: 10.1038/nmat4369  1
2015 Cheng L, Assary RS, Qu X, Jain A, Ong SP, Rajput NN, Persson K, Curtiss LA. Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening. The Journal of Physical Chemistry Letters. 6: 283-291. PMID 26263464 DOI: 10.1021/jz502319n  0.72
2015 Jain A, Hautier G, Ong SP, Dacek S, Ceder G. Relating voltage and thermal safety in Li-ion battery cathodes: a high-throughput computational study. Physical Chemistry Chemical Physics : Pccp. 17: 5942-53. PMID 25636088 DOI: 10.1039/c5cp00250h  0.72
2015 Toumar AJ, Ong SP, Richards WD, Dacek S, Ceder G. Vacancy Ordering in O3 -Type Layered Metal Oxide Sodium-Ion Battery Cathodes Physical Review Applied. 4. DOI: 10.1103/PhysRevApplied.4.064002  1
2015 Cheng L, Assary RS, Qu X, Jain A, Ong SP, Rajput NN, Persson K, Curtiss LA. Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening Journal of Physical Chemistry Letters. 6: 283-291. DOI: 10.1021/jz502319n  0.72
2015 Zhu Z, Chu IH, Deng Z, Ong SP. Role of Na+ Interstitials and Dopants in Enhancing the Na+ Conductivity of the Cubic Na3PS4 Superionic Conductor Chemistry of Materials. 27: 8318-8325. DOI: 10.1021/acs.chemmater.5b03656  1
2015 Quackenbush NF, Wangoh L, Scanlon DO, Zhang R, Chung Y, Chen Z, Wen B, Lin Y, Woicik JC, Chernova NA, Ong SP, Whittingham MS, Piper LFJ. Interfacial Effects in ε-LixVOPO4 and Evolution of the Electronic Structure Chemistry of Materials. 27: 8211-8219. DOI: 10.1021/acs.chemmater.5b02145  0.72
2015 Deng Z, Radhakrishnan B, Ong SP. Rational composition optimization of the lithium-rich Li3OCl1- xBrx anti-perovskite superionic conductors Chemistry of Materials. 27: 3749-3755. DOI: 10.1021/acs.chemmater.5b00988  1
2015 Qu X, Jain A, Rajput NN, Cheng L, Zhang Y, Ong SP, Brafman M, Maginn E, Curtiss LA, Persson KA. The Electrolyte Genome project: A big data approach in battery materials discovery Computational Materials Science. 103: 56-67. DOI: 10.1016/j.commatsci.2015.02.050  0.72
2015 Ong SP, Cholia S, Jain A, Brafman M, Gunter D, Ceder G, Persson KA. The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles Computational Materials Science. 97: 209-215. DOI: 10.1016/j.commatsci.2014.10.037  0.72
2015 Jain A, Ong SP, Chen W, Medasani B, Qu X, Kocher M, Brafman M, Petretto G, Rignanese GM, Hautier G, Gunter D, Persson KA. FireWorks: A dynamic workflow system designed for high-throughput applications Concurrency Computation. DOI: 10.1002/cpe.3505  1
2014 Li X, Ma X, Su D, Liu L, Chisnell R, Ong SP, Chen H, Toumar A, Idrobo JC, Lei Y, Bai J, Wang F, Lynn JW, Lee YS, Ceder G. Direct visualization of the Jahn-Teller effect coupled to Na ordering in Na5/8MnO2. Nature Materials. 13: 586-92. PMID 24836735 DOI: 10.1038/nmat3964  1
2014 Kang S, Mo Y, Ong SP, Ceder G. Nanoscale stabilization of sodium oxides: implications for Na-O2 batteries. Nano Letters. 14: 1016-20. PMID 24417743 DOI: 10.1021/nl404557w  1
2014 Kang S, Mo Y, Ong SP, Ceder G. Nanoscale stabilization of sodium oxides: Implications for Na-O2 batteries Nano Letters. 14: 1016-1020. DOI: 10.1021/nl404557w  1
2013 Chevrier VL, Hautier G, Ong SP, Doe RE, Ceder G. First-principles study of iron oxyfluorides and lithiation of FeOF Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/PhysRevB.87.094118  1
2013 Jain A, Ong SP, Hautier G, Chen W, Richards WD, Dacek S, Cholia S, Gunter D, Skinner D, Ceder G, Persson KA. Commentary: The materials project: A materials genome approach to accelerating materials innovation Apl Materials. 1. DOI: 10.1063/1.4812323  1
2013 Ong SP, Mo Y, Richards WD, Miara L, Lee HS, Ceder G. Phase stability, electrochemical stability and ionic conductivity of the Li10±1MP2X12 (M = Ge, Si, Sn, Al or P, and X = O, S or Se) family of superionic conductors Energy and Environmental Science. 6: 148-156. DOI: 10.1039/c2ee23355j  1
2013 Kang S, Mo Y, Ong SP, Ceder G. A facile mechanism for recharging Li2O2 in Li-O 2 batteries Chemistry of Materials. 25: 3328-3336. DOI: 10.1021/cm401720n  1
2013 Miara LJ, Ong SP, Mo Y, Richards WD, Park Y, Lee JM, Lee HS, Ceder G. Effect of Rb and Ta doping on the ionic conductivity and stability of the garnet Li7+2x-y(La3-xRbx)(Zr 2-yTay)O12 (0 ≤ x ≤ 0.375, 0 ≤ y ≤ 1) Superionic conductor: A first principles investigation Chemistry of Materials. 25: 3048-3055. DOI: 10.1021/cm401232r  1
2013 Hautier G, Jain A, Mueller T, Moore C, Ong SP, Ceder G. Designing multielectron lithium-ion phosphate cathodes by mixing transition Metals Chemistry of Materials. 25: 2064-2074. DOI: 10.1021/cm400199j  1
2013 Ong SP, Richards WD, Jain A, Hautier G, Kocher M, Cholia S, Gunter D, Chevrier VL, Persson KA, Ceder G. Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis Computational Materials Science. 68: 314-319. DOI: 10.1016/j.commatsci.2012.10.028  1
2012 Kim S, Ma X, Ong SP, Ceder G. A comparison of destabilization mechanisms of the layered Na(x)MO2 and Li(x)MO2 compounds upon alkali de-intercalation. Physical Chemistry Chemical Physics : Pccp. 14: 15571-8. PMID 23076452 DOI: 10.1039/c2cp43377j  1
2012 Gunter D, Cholia S, Jain A, Kocher M, Persson K, Ramakrishnan L, Ong SP, Ceder G. Community accessible datastore of high-throughput calculations: Experiences from the materials project Proceedings - 2012 Sc Companion: High Performance Computing, Networking Storage and Analysis, Scc 2012. 1244-1251. DOI: 10.1109/SC.Companion.2012.150  1
2012 Hautier G, Ong SP, Jain A, Moore CJ, Ceder G. Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.155208  1
2012 Ong SP, Mo Y, Ceder G. Low hole polaron migration barrier in lithium peroxide Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.081105  1
2012 Florez JM, Ong SP, Onbaşli MC, Dionne GF, Vargas P, Ceder G, Ross CA. First-principles insights on the magnetism of cubic SrTi 1-xCo xO 3-δ Applied Physics Letters. 100. DOI: 10.1063/1.4729830  1
2012 Kim S, Ma X, Ong SP, Ceder G. A comparison of destabilization mechanisms of the layered Na xMO 2 and Li xMO 2 compounds upon alkali de-intercalation Physical Chemistry Chemical Physics. 14: 15571-15578. DOI: 10.1039/c2cp43377j  1
2012 Mo Y, Ong SP, Ceder G. First principles study of the Li 10GeP 2S 12 lithium super ionic conductor material Chemistry of Materials. 24: 15-17. DOI: 10.1021/cm203303y  1
2012 Hautier G, Jain A, Ong SP. From the computer to the laboratory: Materials discovery and design using first-principles calculations Journal of Materials Science. 47: 7317-7340. DOI: 10.1007/s10853-012-6424-0  1
2011 Ceder G, Hautier G, Jain A, Ong SP. Recharging lithium battery research with first-principles methods Mrs Bulletin. 36: 185-191. DOI: 10.1557/mrs.2011.31  1
2011 Mo Y, Ong SP, Ceder G. First-principles study of the oxygen evolution reaction of lithium peroxide in the lithium-air battery Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.205446  1
2011 Jain A, Hautier G, Ong SP, Moore CJ, Fischer CC, Persson KA, Ceder G. Formation enthalpies by mixing GGA and GGA + U calculations Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.045115  1
2011 Ong SP, Chevrier VL, Ceder G. Comparison of small polaron migration and phase separation in olivine LiMnPO4 and LiFePO4 using hybrid density functional theory Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.075112  1
2011 Hautier G, Jain A, Chen H, Moore C, Ong SP, Ceder G. Novel mixed polyanions lithium-ion battery cathode materials predicted by high-throughput ab initio computations Journal of Materials Chemistry. 21: 17147-17153. DOI: 10.1039/c1jm12216a  1
2011 Ong SP, Chevrier VL, Hautier G, Jain A, Moore C, Kim S, Ma X, Ceder G. Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials Energy and Environmental Science. 4: 3680-3688. DOI: 10.1039/c1ee01782a  1
2011 Hautier G, Jain A, Ong SP, Kang B, Moore C, Doe R, Ceder G. Phosphates as lithium-ion battery cathodes: An evaluation based on high-throughput ab initio calculations Chemistry of Materials. 23: 3495-3508. DOI: 10.1021/cm200949v  1
2011 Ong SP, Andreussi O, Wu Y, Marzari N, Ceder G. Electrochemical windows of room-temperature ionic liquids from molecular dynamics and density functional theory calculations Chemistry of Materials. 23: 2979-2986. DOI: 10.1021/cm200679y  1
2011 Jain A, Hautier G, Moore CJ, Ping Ong S, Fischer CC, Mueller T, Persson KA, Ceder G. A high-throughput infrastructure for density functional theory calculations Computational Materials Science. 50: 2295-2310. DOI: 10.1016/j.commatsci.2011.02.023  0.4
2010 Chevrier VL, Ong SP, Armiento R, Chan MKY, Ceder G. Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.075122  1
2010 Ong SP, Ceder G. Investigation of the Effect of Functional Group Substitutions on the Gas-Phase Electron Affinities and Ionization Energies of Room-Temperature Ionic Liquids Ions using Density Functional Theory Electrochimica Acta. 55: 3804-3811. DOI: 10.1016/j.electacta.2010.01.091  1
2010 Ong SP, Jain A, Hautier G, Kang B, Ceder G. Thermal stabilities of delithiated olivine MPO4 (M = Fe, Mn) cathodes investigated using first principles calculations Electrochemistry Communications. 12: 427-430. DOI: 10.1016/j.elecom.2010.01.010  1
2008 Ong SP, Wang L, Kang B, Ceder G. Li - Fe - P - O2 phase diagram from first principles calculations Chemistry of Materials. 20: 1798-1807. DOI: 10.1021/cm702327g  1
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