| Year |
Citation |
Score |
| 2024 |
Zhou J, Holekevi Chandrappa ML, Tan S, Wang S, Wu C, Nguyen H, Wang C, Liu H, Yu S, Miller QRS, Hyun G, Holoubek J, Hong J, Xiao Y, Soulen C, ... ... Ong SP, et al. Healable and conductive sulfur iodide for solid-state Li-S batteries. Nature. PMID 38448596 DOI: 10.1038/s41586-024-07101-z |
0.338 |
|
| 2022 |
Chen C, Ong SP. A universal graph deep learning interatomic potential for the periodic table. Nature Computational Science. 2: 718-728. PMID 38177366 DOI: 10.1038/s43588-022-00349-3 |
0.496 |
|
| 2022 |
Holekevi Chandrappa ML, Qi J, Chen C, Banerjee S, Ong SP. Thermodynamics and Kinetics of the Cathode-Electrolyte Interface in All-Solid-State Li-S Batteries. Journal of the American Chemical Society. PMID 36150188 DOI: 10.1021/jacs.2c07482 |
0.8 |
|
| 2022 |
Barnes P, Zuo Y, Dixon K, Hou D, Lee S, Ma Z, Connell JG, Zhou H, Deng C, Smith K, Gabriel E, Liu Y, Maryon OO, Davis PH, Zhu H, ... ... Ong SP, et al. Electrochemically induced amorphous-to-rock-salt phase transformation in niobium oxide electrode for Li-ion batteries. Nature Materials. PMID 35501365 DOI: 10.1038/s41563-022-01242-0 |
0.565 |
|
| 2021 |
Chen C, Zuo Y, Ye W, Li X, Ong SP. Learning properties of ordered and disordered materials from multi-fidelity data. Nature Computational Science. 1: 46-53. PMID 38217148 DOI: 10.1038/s43588-020-00002-x |
0.461 |
|
| 2021 |
Yang L, Chen C, Xiong S, Zheng C, Liu P, Ma Y, Xu W, Tang Y, Ong SP, Chen H. Multiprincipal Component P2-Na(TiMnCoNiRu)O as a High-Rate Cathode for Sodium-Ion Batteries. Jacs Au. 1: 98-107. PMID 34467273 DOI: 10.1021/jacsau.0c00002 |
0.593 |
|
| 2021 |
Yin S, Zuo Y, Abu-Odeh A, Zheng H, Li XG, Ding J, Ong SP, Asta M, Ritchie RO. Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order. Nature Communications. 12: 4873. PMID 34381027 DOI: 10.1038/s41467-021-25134-0 |
0.632 |
|
| 2021 |
Chen Y, Chen C, Zheng C, Dwaraknath S, Horton MK, Cabana J, Rehr J, Vinson J, Dozier A, Kas JJ, Persson KA, Ong SP. Database of ab initio L-edge X-ray absorption near edge structure. Scientific Data. 8: 153. PMID 34117266 DOI: 10.1038/s41597-021-00936-5 |
0.458 |
|
| 2021 |
Wu EA, Banerjee S, Tang H, Richardson PM, Doux JM, Qi J, Zhu Z, Grenier A, Li Y, Zhao E, Deysher G, Sebti E, Nguyen H, Stephens R, Verbist G, ... ... Ong SP, et al. A stable cathode-solid electrolyte composite for high-voltage, long-cycle-life solid-state sodium-ion batteries. Nature Communications. 12: 1256. PMID 33623048 DOI: 10.1038/s41467-021-21488-7 |
0.796 |
|
| 2020 |
Zheng C, Chen C, Chen Y, Ong SP. Random Forest Models for Accurate Identification of Coordination Environments from X-Ray Absorption Near-Edge Structure. Patterns (New York, N.Y.). 1: 100013. PMID 33205091 DOI: 10.1016/j.patter.2020.100013 |
0.473 |
|
| 2020 |
Liu H, Zhu Z, Yan Q, Yu S, He X, Chen Y, Zhang R, Ma L, Liu T, Li M, Lin R, Chen Y, Li Y, Xing X, Choi Y, ... ... Ong SP, et al. A disordered rock salt anode for fast-charging lithium-ion batteries. Nature. 585: 63-67. PMID 32879503 DOI: 10.1038/S41586-020-2637-6 |
0.498 |
|
| 2020 |
Van der Ven A, Deng Z, Banerjee S, Ong SP. Rechargeable Alkali-Ion Battery Materials: Theory and Computation. Chemical Reviews. PMID 32022553 DOI: 10.1021/Acs.Chemrev.9B00601 |
0.796 |
|
| 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 |
0.741 |
|
| 2020 |
Wen B, Deng Z, Tsai P, Lebens-Higgins ZW, Piper LFJ, Ong SP, Chiang Y. Ultrafast ion transport at a cathode–electrolyte interface and its strong dependence on salt solvation Nature Energy. 5: 578-586. DOI: 10.1038/S41560-020-0647-0 |
0.43 |
|
| 2020 |
Amachraa M, Wang Z, Chen C, Hariyani S, Tang H, Brgoch J, Ong SP. Predicting Thermal Quenching in Inorganic Phosphors Chemistry of Materials. 32: 6256-6265. DOI: 10.1021/Acs.Chemmater.0C02231 |
0.49 |
|
| 2020 |
Guo X, Wang Z, Deng Z, Wang B, Chen X, Ong SP. Design Principles for Aqueous Na-Ion Battery Cathodes Chemistry of Materials. 32: 6875-6885. DOI: 10.1021/Acs.Chemmater.0C01582 |
0.407 |
|
| 2020 |
Wang D, Liu H, Li M, Xia D, Holoubek J, Deng Z, Yu M, Tian J, Shan Z, Ong SP, Liu P, Chen Z. A long-lasting dual-function electrolyte additive for stable lithium metal batteries Nano Energy. 75: 104889. DOI: 10.1016/J.Nanoen.2020.104889 |
0.427 |
|
| 2020 |
Hu C, Zuo Y, Chen C, Ong SP, Luo J. Genetic algorithm-guided deep learning of grain boundary diagrams: Addressing the challenge of five degrees of freedom Materials Today. DOI: 10.1016/J.Mattod.2020.03.004 |
0.506 |
|
| 2020 |
Grandhi GK, Likhit HM, Ong SP, Im WB. Jahn–Teller distortion-driven robust blue-light-emitting perovskite nanoplatelets Applied Materials Today. 20: 100668. DOI: 10.1016/J.Apmt.2020.100668 |
0.322 |
|
| 2020 |
Zheng H, Li X, Tran R, Chen C, Horton M, Winston D, Persson KA, Ong SP. Grain boundary properties of elemental metals Acta Materialia. 186: 40-49. DOI: 10.1016/J.Actamat.2019.12.030 |
0.524 |
|
| 2020 |
Chen C, Zuo Y, Ye W, Li X, Deng Z, Ong SP. A Critical Review of Machine Learning of Energy Materials Advanced Energy Materials. 10: 1903242. DOI: 10.1002/Aenm.201903242 |
0.489 |
|
| 2019 |
Banerjee A, Tang H, Wang X, Cheng JH, Nguyen H, Zhang M, Tan D, Wynn T, Wu E, Doux JM, Wu T, Ma L, Sterbinsky GE, Dsouza M, Ong SP, et al. Revealing Nanoscale Solid-Solid Interfacial Phenomena for Long-Life and High-Energy All-Solid-State Batteries. Acs Applied Materials & Interfaces. PMID 31642661 DOI: 10.1021/Acsami.9B13955 |
0.414 |
|
| 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 |
0.506 |
|
| 2019 |
Zhou J, Shen L, Costa MD, Persson KA, Ong SP, Huck P, Lu Y, Ma X, Chen Y, Tang H, Feng YP. 2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches. Scientific Data. 6: 86. PMID 31189922 DOI: 10.1038/S41597-019-0097-3 |
0.363 |
|
| 2019 |
Hidalgo MF, Lin Y, Grenier A, Xiao D, Rana J, Tran R, Xin H, Zuba M, Donohue J, Omenya FO, Chu I, Wang Z, Li X, Chernova NA, Chapman KW, ... ... Ong SP, et al. Rational synthesis and electrochemical performance of LiVOPO4 polymorphs Journal of Materials Chemistry A. 7: 8423-8432. DOI: 10.1039/C8Ta12531G |
0.355 |
|
| 2019 |
Li S, Xia Y, Amachraa M, Hung NT, Wang Z, Ong SP, Xie R. Data-Driven Discovery of Full-Visible-Spectrum Phosphor Chemistry of Materials. 31: 6286-6294. DOI: 10.1021/Acs.Chemmater.9B02505 |
0.315 |
|
| 2019 |
Guo X, Wang Z, Deng Z, Li X, Wang B, Chen X, Ong SP. Water Contributes to Higher Energy Density and Cycling Stability of Prussian Blue Analogue Cathodes for Aqueous Sodium-Ion Batteries Chemistry of Materials. 31: 5933-5942. DOI: 10.1021/Acs.Chemmater.9B02269 |
0.438 |
|
| 2019 |
Chen C, Ye W, Zuo Y, Zheng C, Ong SP. Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals Chemistry of Materials. 31: 3564-3572. DOI: 10.1021/Acs.Chemmater.9B01294 |
0.508 |
|
| 2019 |
Tran R, Li X, Montoya JH, Winston D, Persson KA, Ong SP. Anisotropic work function of elemental crystals Surface Science. 687: 48-55. DOI: 10.1016/J.Susc.2019.05.002 |
0.321 |
|
| 2019 |
Ong SP. Accelerating materials science with high-throughput computations and machine learning Computational Materials Science. 161: 143-150. DOI: 10.1016/J.Commatsci.2019.01.013 |
0.4 |
|
| 2019 |
Feng X, Chien P, Zhu Z, Chu I, Wang P, Immediato-Scuotto M, Arabzadeh H, Ong SP, Hu Y. Studies of Functional Defects for Fast Na-Ion Conduction in Na3−
y
PS4−
x
Cl
x
with a Combined Experimental and Computational Approach Advanced Functional Materials. 29: 1807951. DOI: 10.1002/Adfm.201807951 |
0.328 |
|
| 2018 |
Ye W, Chen C, Wang Z, Chu IH, Ong SP. Deep neural networks for accurate predictions of crystal stability. Nature Communications. 9: 3800. PMID 30228262 DOI: 10.1038/S41467-018-06322-X |
0.728 |
|
| 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 |
0.487 |
|
| 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 |
0.639 |
|
| 2018 |
Wu EA, Kompella CS, Zhu Z, Lee JZ, Lee SC, Chu IH, Nguyen H, Ong SP, Banerjee A, Meng YS. New Insights into the Interphase Between the Na Metal Anode and Sulfide Solid-State Electrolytes: A Joint Experimental and Computational Study. Acs Applied Materials & Interfaces. PMID 29528620 DOI: 10.1021/Acsami.7B19037 |
0.389 |
|
| 2018 |
Ceder G, Ong SP, Wang Y. Predictive modeling and design rules for solid electrolytes Mrs Bulletin. 43: 746-751. DOI: 10.1557/Mrs.2018.210 |
0.398 |
|
| 2018 |
Chen C, Deng Z, Tran R, Tang H, Chu I, Ong SP. Publisher's Note: Accurate force field for molybdenum by machine learning large materials data [Phys. Rev. Materials
1
, 043603 (2017)] Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.109902 |
0.492 |
|
| 2018 |
Li X, Hu C, Chen C, Deng Z, Luo J, Ong SP. Quantum-accurate spectral neighbor analysis potential models for Ni-Mo binary alloys and fcc metals Physical Review B. 98. DOI: 10.1103/Physrevb.98.094104 |
0.511 |
|
| 2018 |
Shi Y, Tang H, Jiang S, Kayser LV, Li M, Liu F, Ji F, Lipomi DJ, Ong SP, Chen Z. Understanding the Electrochemical Properties of Naphthalene Diimide: Implication for Stable and High-Rate Lithium-Ion Battery Electrodes Chemistry of Materials. 30: 3508-3517. DOI: 10.1021/Acs.Chemmater.8B01304 |
0.426 |
|
| 2018 |
Li H, Tang H, Ma C, Bai Y, Alvarado J, Radhakrishnan B, Ong SP, Wua F, Meng YS, Wu C. Understanding the Electrochemical Mechanisms Induced by Gradient Mg2+ Distribution of Na-Rich Na3+xV2–xMgx(PO4)3/C for Sodium Ion Batteries Chemistry of Materials. 30: 2498-2505. DOI: 10.1021/Acs.Chemmater.7B03903 |
0.352 |
|
| 2018 |
Wang Z, Ha J, Kim YH, Im WB, McKittrick J, Ong SP. Mining Unexplored Chemistries for Phosphors for High-Color-Quality White-Light-Emitting Diodes Joule. 2: 914-926. DOI: 10.1016/J.Joule.2018.01.015 |
0.334 |
|
| 2018 |
Zheng H, Tran R, Li X, Radhakrishnan B, Ong SP. Role of Zr in strengthening MoSi2 from density functional theory calculations Acta Materialia. 145: 470-476. DOI: 10.1016/J.Actamat.2017.12.017 |
0.335 |
|
| 2018 |
Ding J, Lin Y, Liu J, Rana J, Zhang H, Zhou H, Chu I, Wiaderek KM, Omenya F, Chernova NA, Chapman KW, Piper LFJ, Ong SP, Whittingham MS. KVOPO4
: A New High Capacity Multielectron Na-Ion Battery Cathode Advanced Energy Materials. 8: 1800221. DOI: 10.1002/Aenm.201800221 |
0.383 |
|
| 2017 |
Luo Y, Khoram P, Brittman S, Zhu Z, Lai B, Ong SP, Garnett EC, Fenning DP. Direct Observation of Halide Migration and its Effect on the Photoluminescence of Methylammonium Lead Bromide Perovskite Single Crystals. Advanced Materials (Deerfield Beach, Fla.). PMID 28961331 DOI: 10.1002/Adma.201703451 |
0.303 |
|
| 2017 |
Chen C, Deng Z, Tran R, Tang H, Chu I, Ong SP. Accurate force field for molybdenum by machine learning large materials data Physical Review Materials. 1. DOI: 10.1103/Physrevmaterials.1.043603 |
0.541 |
|
| 2017 |
Lin Y, Hidalgo MFV, Chu I, Chernova NA, Whittingham MS, Ong SP. Comparison of the polymorphs of VOPO4 as multi-electron cathodes for rechargeable alkali-ion batteries Journal of Materials Chemistry A. 5: 17421-17431. DOI: 10.1039/C7Ta04558A |
0.328 |
|
| 2017 |
Tang H, Deng Z, Lin Z, Wang Z, Chu I, Chen C, Zhu Z, Zheng C, Ong SP. Probing Solid–Solid Interfacial Reactions in All-Solid-State Sodium-Ion Batteries with First-Principles Calculations Chemistry of Materials. 30: 163-173. DOI: 10.1021/Acs.Chemmater.7B04096 |
0.572 |
|
| 2017 |
Zhu Z, Chu I, Ong SP. Li3Y(PS4)2 and Li5PS4Cl2: New Lithium Superionic Conductors Predicted from Silver Thiophosphates using Efficiently Tiered Ab Initio Molecular Dynamics Simulations Chemistry of Materials. 29: 2474-2484. DOI: 10.1021/Acs.Chemmater.6B04049 |
0.437 |
|
| 2017 |
Samiee M, Radhakrishnan B, Rice Z, Deng Z, Meng YS, Ong SP, Luo J. Divalent-doped Na3Zr2Si2PO12 natrium superionic conductor: Improving the ionic conductivity via simultaneously optimizing the phase and chemistry of the primary and secondary phases Journal of Power Sources. 347: 229-237. DOI: 10.1016/J.Jpowsour.2017.02.042 |
0.341 |
|
| 2017 |
Mathew K, Montoya JH, Faghaninia A, Dwarakanath S, Aykol M, Tang H, Chu I, Smidt T, Bocklund B, Horton M, Dagdelen J, Wood B, Liu Z, Neaton J, Ong SP, et al. Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows Computational Materials Science. 139: 140-152. DOI: 10.1016/J.Commatsci.2017.07.030 |
0.373 |
|
| 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 |
0.704 |
|
| 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 |
0.442 |
|
| 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 |
0.314 |
|
| 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 |
0.604 |
|
| 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 |
0.711 |
|
| 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 |
0.42 |
|
| 2016 |
Radhakrishnan B, Ong SP. Aqueous Stability of Alkali Superionic Conductors from First-Principles Calculations Frontiers in Energy Research. 4. DOI: 10.3389/Fenrg.2016.00016 |
0.439 |
|
| 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 |
0.639 |
|
| 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 |
0.411 |
|
| 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 |
0.343 |
|
| 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 |
0.436 |
|
| 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 |
0.385 |
|
| 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 |
0.675 |
|
| 2016 |
Deng Z, Zhu Z, Chu I, Ong SP. Data-Driven First-Principles Methods for the Study and Design of Alkali Superionic Conductors Chemistry of Materials. 29: 281-288. DOI: 10.1021/Acs.Chemmater.6B02648 |
0.4 |
|
| 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 |
0.411 |
|
| 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 |
0.38 |
|
| 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 |
0.355 |
|
| 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 |
0.351 |
|
| 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 |
0.735 |
|
| 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 |
0.38 |
|
| 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 |
0.696 |
|
| 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 |
0.575 |
|
| 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 |
0.357 |
|
| 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 |
0.395 |
|
| 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 |
0.451 |
|
| 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 |
0.366 |
|
| 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 |
0.523 |
|
| 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 |
0.616 |
|
| 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 |
0.491 |
|
| 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 |
0.711 |
|
| 2014 |
Dunstan M, Liu W, Ong SP, Jain A, Persson K, Dennis J, Scott S, Grey C. Large-Scale Computational Screening of Novel Compounds for Carbon Capture Acta Crystallographica Section a Foundations and Advances. 70: C1538-C1538. DOI: 10.1107/S2053273314084617 |
0.396 |
|
| 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 |
0.656 |
|
| 2014 |
Mo Y, Ong SP, Ceder G. Insights into Diffusion Mechanisms in P2 Layered Oxide Materials by First-Principles Calculations Chemistry of Materials. 26: 5208-5214. DOI: 10.1021/Cm501563F |
0.698 |
|
| 2014 |
Mo Y, Ong SP, Ceder G. ChemInform Abstract: Insights into Diffusion Mechanisms in P2 Layered Oxide Materials by First-Principles Calculations. Cheminform. 45: no-no. DOI: 10.1002/chin.201446004 |
0.589 |
|
| 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 |
0.684 |
|
| 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 |
0.688 |
|
| 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 |
0.716 |
|
| 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 |
0.719 |
|
| 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 |
0.702 |
|
| 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 |
0.707 |
|
| 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 |
0.72 |
|
| 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 |
0.542 |
|
| 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 |
0.412 |
|
| 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 |
0.695 |
|
| 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 |
0.659 |
|
| 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 |
0.49 |
|
| 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 |
0.411 |
|
| 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 |
0.726 |
|
| 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 |
0.646 |
|
| 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 |
0.705 |
|
| 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 |
0.67 |
|
| 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 |
0.703 |
|
| 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 |
0.515 |
|
| 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 |
0.74 |
|
| 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 |
0.712 |
|
| 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 |
0.743 |
|
| 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 |
0.526 |
|
| 2011 |
Hautier G, Jain A, Ong SP, Kang B, Moore C, Doe R, Ceder G. ChemInform Abstract: Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab initio Calculations. Cheminform. 42: no-no. DOI: 10.1002/chin.201137008 |
0.5 |
|
| 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 |
0.613 |
|
| 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 |
0.541 |
|
| 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 |
0.677 |
|
| 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 |
0.518 |
|
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