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Zhenpeng Yao - Publications

Affiliations: 
Harvard University, Cambridge, MA, United States 
Area:
Computational materials research
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52 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 Hari Kumar SG, Bozal-Ginesta C, Wang N, Abed J, Shan CH, Yao Z, Aspuru-Guzik A. From computational screening to the synthesis of a promising OER catalyst. Chemical Science. 15: 10556-10570. PMID 38994429 DOI: 10.1039/d4sc00192c  0.485
2024 Wang Q, Yao Z, Wang J, Guo H, Li C, Zhou D, Bai X, Li H, Li B, Wagemaker M, Zhao C. Chemical short-range disorder in lithium oxide cathodes. Nature. 629: 341-347. PMID 38720041 DOI: 10.1038/s41586-024-07362-8  0.362
2024 Wang Q, Zhou Y, Wang X, Guo H, Gong S, Yao Z, Wu F, Wang J, Ganapathy S, Bai X, Li B, Zhao C, Janek J, Wagemaker M. Designing lithium halide solid electrolytes. Nature Communications. 15: 1050. PMID 38316799 DOI: 10.1038/s41467-024-45258-3  0.343
2024 Shao R, Sun Z, Wang L, Pan J, Yi L, Zhang Y, Han J, Yao Z, Li J, Wen Z, Chen S, Chou S, Peng DL, Zhang Q. Resolving the Origins of Superior Cycling Performance of Antimony Anode in Sodium-ion Batteries: A Comparison with Lithium-ion Batteries. Angewandte Chemie (International Ed. in English). e202320183. PMID 38265307 DOI: 10.1002/anie.202320183  0.359
2023 Wang Q, Zhao C, Wang J, Yao Z, Wang S, Kumar SGH, Ganapathy S, Eustace S, Bai X, Li B, Wagemaker M. High entropy liquid electrolytes for lithium batteries. Nature Communications. 14: 440. PMID 36765083 DOI: 10.1038/s41467-023-36075-1  0.341
2023 Wang Q, Zhao C, Yao Z, Wang J, Wu F, Kumar SGH, Ganapathy S, Eustace S, Bai X, Li B, Lu J, Wagemaker M. Entropy-driven Liquid Electrolytes for Lithium Batteries. Advanced Materials (Deerfield Beach, Fla.). e2210677. PMID 36718916 DOI: 10.1002/adma.202210677  0.343
2022 Yang Z, Huang X, Meng P, Jiang M, Wang Y, Yao Z, Zhang J, Sun B, Fu C. Phenoxazine Polymer-based p-type Positive Electrode for Aluminum-ion Batteries with Ultra-long Cycle Life. Angewandte Chemie (International Ed. in English). PMID 36545849 DOI: 10.1002/anie.202216797  0.302
2022 Yao Z, Lum Y, Johnston A, Mejia-Mendoza LM, Zhou X, Wen Y, Aspuru-Guzik A, Sargent EH, Seh ZW. Machine learning for a sustainable energy future. Nature Reviews. Materials. 1-14. PMID 36277083 DOI: 10.1038/s41578-022-00490-5  0.419
2022 Pei Y, Chen Q, Ha Y, Su D, Zhou H, Li S, Yao Z, Ma L, Sanders KJ, Sheng C, Goward GR, Gu L, Yu A, Yang W, Chen Z. Fluorinated Rocksalt Cathode with Ultra-high Active Li Content for Lithium-ion Batteries. Angewandte Chemie (International Ed. in English). e202212471. PMID 36265124 DOI: 10.1002/anie.202212471  0.349
2022 Krenn M, Pollice R, Guo SY, Aldeghi M, Cervera-Lierta A, Friederich P, Dos Passos Gomes G, Häse F, Jinich A, Nigam A, Yao Z, Aspuru-Guzik A. On scientific understanding with artificial intelligence. Nature Reviews. Physics. 1-9. PMID 36247217 DOI: 10.1038/s42254-022-00518-3  0.704
2022 Shi Q, Qi R, Feng X, Wang J, Li Y, Yao Z, Wang X, Li Q, Lu X, Zhang J, Zhao Y. Niobium-doped layered cathode material for high-power and low-temperature sodium-ion batteries. Nature Communications. 13: 3205. PMID 35680909 DOI: 10.1038/s41467-022-30942-z  0.362
2022 Eng AYS, Soni CB, Lum Y, Khoo E, Yao Z, Vineeth SK, Kumar V, Lu J, Johnson CS, Wolverton C, Seh ZW. Theory-guided experimental design in battery materials research. Science Advances. 8: eabm2422. PMID 35544561 DOI: 10.1126/sciadv.abm2422  0.344
2022 Zhu H, Yao Z, Zhu H, Huang Y, Zhang J, Li CC, Wiaderek KM, Ren Y, Sun CJ, Zhou H, Fan L, Chen Y, Xia H, Gu L, Lan S, et al. Unblocking Oxygen Charge Compensation for Stabilized High-Voltage Structure in P2-Type Sodium-Ion Cathode. Advanced Science (Weinheim, Baden-Wurttemberg, Germany). e2200498. PMID 35347886 DOI: 10.1002/advs.202200498  0.341
2021 Xu Y, Wang K, Yao Z, Kang J, Lam D, Yang D, Ai W, Wolverton C, Hersam MC, Huang Y, Huang W, Dravid VP, Wu J. In Situ, Atomic-Resolution Observation of Lithiation and Sodiation of WS Nanoflakes: Implications for Lithium-Ion and Sodium-Ion Batteries. Small (Weinheim An Der Bergstrasse, Germany). e2100637. PMID 33982862 DOI: 10.1002/smll.202100637  0.578
2021 Pollice R, Dos Passos Gomes G, Aldeghi M, Hickman RJ, Krenn M, Lavigne C, Lindner-D'Addario M, Nigam A, Ser CT, Yao Z, Aspuru-Guzik A. Data-Driven Strategies for Accelerated Materials Design. Accounts of Chemical Research. PMID 33528245 DOI: 10.1021/acs.accounts.0c00785  0.735
2020 Zhao C, Wang Q, Yao Z, Wang J, Sánchez-Lengeling B, Ding F, Qi X, Lu Y, Bai X, Li B, Li H, Aspuru-Guzik A, Huang X, Delmas C, Wagemaker M, et al. Rational design of layered oxide materials for sodium-ion batteries. Science (New York, N.Y.). 370: 708-711. PMID 33154140 DOI: 10.1126/science.aay9972  0.561
2020 Wang Q, Yao Z, Zhao C, Verhallen T, Tabor DP, Liu M, Ooms F, Kang F, Aspuru-Guzik A, Hu YS, Wagemaker M, Li B. Interface chemistry of an amide electrolyte for highly reversible lithium metal batteries. Nature Communications. 11: 4188. PMID 32826904 DOI: 10.1038/S41467-020-17976-X  0.753
2020 Li S, Yao Z, Zheng J, Fu M, Cen J, Hwang S, Jin H, Orlov A, Gu L, Wang S, Chen Z, Su D. Direct observation of defect-aided structural evolution in Ni-rich layered cathode. Angewandte Chemie (International Ed. in English). PMID 32743947 DOI: 10.1002/Anie.202008144  0.413
2020 Zhao C, Yao Z, Wang Q, Li H, Wang J, Liu M, Ganapathy S, Lu Y, Cabana J, Li B, Bai X, Aspuru-Guzik A, Wagemaker M, Chen L, Hu YS. Revealing High Na-Content P2-Type Layered Oxides for Advanced Sodium-Ion Cathodes. Journal of the American Chemical Society. PMID 32118416 DOI: 10.1021/Jacs.9B13572  0.616
2020 He J, Yao Z, Hegde VI, Naghavi SS, Shen J, Bushick KM, Wolverton C. Computational Discovery of Stable Heteroanionic Oxychalcogenides ABXO (A, B = metals; X = S, Se, Te) and Their Potential Applications Chemistry of Materials. DOI: 10.1021/Acs.Chemmater.0C01902  0.486
2020 Ma Z, Yao Z, Cheng Y, Zhang X, Guo B, Lyu Y, Wang P, Li Q, Wang H, Nie A, Aspuru-Guzik A. All roads lead to Rome: Sodiation of different-stacked SnS2 Nano Energy. 67: 104276. DOI: 10.1016/J.Nanoen.2019.104276  0.432
2019 Wang X, Yao Z, Hwang S, Pan Y, Dong H, Fu M, Li N, Sun K, Gan H, Yao Y, Aspuru-Guzik A, Xu Q, Su D. Electron Microscopy Investigation of Sodiation of Titanium Disulfide Nanoflakes. Acs Nano. PMID 31386342 DOI: 10.1021/Acsnano.9B04222  0.602
2019 Li Q, Yao Z, Lee E, Xu Y, Thackeray MM, Wolverton C, Dravid VP, Wu J. Dynamic imaging of crystalline defects in lithium-manganese oxide electrodes during electrochemical activation to high voltage. Nature Communications. 10: 1692. PMID 30979874 DOI: 10.1038/S41467-019-09408-2  0.565
2019 Xu Y, Park JH, Yao Z, Wolverton C, Razeghi M, Wu J, Dravid VP. Strain-Induced Metastable Phase Stabilization in Ga2O3 Thin Films. Acs Applied Materials & Interfaces. PMID 30628429 DOI: 10.1021/Acsami.8B17731  0.491
2019 Li L, Castro FC, Park JS, Li H, Lee E, Boyko TD, Freeland JW, Yao Z, Fister TT, Vinson J, Shirley EL, Wolverton C, Cabana J, Dravid VP, Thackeray MM, et al. Probing Electrochemically Induced Structural Evolution and Oxygen Redox Reactions in Layered Lithium Iridate Chemistry of Materials. 31: 4341-4352. DOI: 10.1021/Acs.Chemmater.8B04591  0.595
2019 Bucior BJ, Rosen AS, Haranczyk M, Yao Z, Ziebel ME, Farha OK, Hupp JT, Siepmann JI, Aspuru-Guzik A, Snurr RQ. Identification Schemes for Metal–Organic Frameworks To Enable Rapid Search and Cheminformatics Analysis Crystal Growth & Design. 19: 6682-6697. DOI: 10.1021/Acs.Cgd.9B01050  0.5
2019 Fu M, Yao Z, Ma X, Dong H, Sun K, Hwang S, Hu E, Gan H, Yao Y, Stach EA, Wolverton C, Su D. Expanded lithiation of titanium disulfide: Reaction kinetics of multi-step conversion reaction Nano Energy. 63: 103882. DOI: 10.1016/J.Nanoen.2019.103882  0.579
2019 Zhao C, Yao Z, Wang J, Lu Y, Bai X, Aspuru-Guzik A, Chen L, Hu Y. Ti Substitution Facilitating Oxygen Oxidation in Na2/3Mg1/3Ti1/6Mn1/2O2 Cathode Chem. 5: 2913-2925. DOI: 10.1016/J.Chempr.2019.08.003  0.591
2019 Yao Z, Hegde VI, Aspuru-Guzik A, Wolverton C. Discovery of Calcium-Metal Alloy Anodes for Reversible Ca-Ion Batteries Advanced Energy Materials. 9: 1802994. DOI: 10.1002/Aenm.201802994  0.608
2018 Kim S, Yao Z, Lim JM, Hersam MC, Wolverton C, Dravid VP, He K. Atomic-Scale Observation of Electrochemically Reversible Phase Transformations in SnSe Single Crystals. Advanced Materials (Deerfield Beach, Fla.). e1804925. PMID 30368925 DOI: 10.1002/Adma.201804925  0.597
2018 Li Q, Xu Y, Yao Z, Kang J, Liu X, Wolverton C, Hersam MC, Wu J, Dravid VP. Revealing the Effects of Electrode Crystallographic Orientation on Battery Electrochemistry via the Anisotropic Lithiation and Sodiation of ReS2. Acs Nano. PMID 29986135 DOI: 10.1021/Acsnano.8B02203  0.6
2018 Yao Z, Kim S, He J, Hegde VI, Wolverton C. Interplay of cation and anion redox in LiMnO cathode material and prediction of improved Li(Mn,M)O electrodes for Li-ion batteries. Science Advances. 4: eaao6754. PMID 29795779 DOI: 10.1126/Sciadv.Aao6754  0.659
2018 Kim S, Hegde VI, Yao Z, Lu Z, Amsler M, He J, Hao S, Croy JR, Lee E, Thackeray MM, Wolverton C. First-principles Study of Lithium Cobalt Spinel Oxides: Correlating Structure and Electrochemistry. Acs Applied Materials & Interfaces. PMID 29616800 DOI: 10.1021/Acsami.8B00394  0.738
2018 Hwang S, Yao Z, Zhang L, Fu M, He K, Mai L, Wolverton C, Su D. Multi-Step Lithiation of Tin Sulfide: An Investigation Using In Situ Electron Microscopy. Acs Nano. PMID 29613765 DOI: 10.1021/Acsnano.8B00758  0.583
2018 Khoury JF, Hao S, Stoumpos CC, Yao Z, Malliakas CD, Aydemir U, Slade TJ, Snyder GJ, Wolverton C, Kanatzidis MG. Quaternary Pavonites A1+xSn2-xBi5+xS10 (A+ = Li+, Na+): Site Occupancy Disorder Defines Electronic Structure. Inorganic Chemistry. PMID 29411610 DOI: 10.1021/Acs.Inorgchem.7B03091  0.521
2018 Yao Z, Kim S, Michel K, Zhang Y, Aykol M, Wolverton C. Stability and conductivity of cation- and anion-substituted LiBH4 -based solid-state electrolytes Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.065402  0.688
2018 Hwang S, Yao Z, Zhang L, Fu M, He K, Mai L, Wolverton C, Su D. In-situ Investigation of Multi-Step Lithiation of Tin Sulfide Microscopy and Microanalysis. 24: 1864-1865. DOI: 10.1017/S1431927618009807  0.462
2018 Wu J, Li Q, Xu Y, Yao Z, Kang J, Liu X, Wolverton C, Hersam MC, Dravid VP. Anisotropic Lithiation and Sodiation of ReS2 Studied by In-situ TEM Microscopy and Microanalysis. 24: 1570-1571. DOI: 10.1017/S1431927618008334  0.486
2018 Li Q, Wu J, Yao Z, Xu Y, Thackeray MM, Wolverton C, Dravid VP. Dynamic imaging of metastable reaction pathways in lithiated cobalt oxide electrodes Nano Energy. 44: 15-22. DOI: 10.1016/J.Nanoen.2017.11.052  0.629
2018 Shirley EL, Vinson JT, Li L, Chan MK, Park JS, Lee E, Freeland JW, Yao Z, Castro F, Fister TT, Wolverton CM, Thackeray M. Probing the Participation of Oxygen Redox in the Electrochemical Cycling of Li-Rich Li2IrO3 Journal of Chemical Physics. 30. DOI: 10.1002/Https://Dx.Doi.Org/10.1021/Acs.Chemmater.7B04803  0.323
2018 Kim S, Yao Z, Lim J, Hersam MC, Wolverton C, Dravid VP, He K. Lithium-Ion Batteries: Atomic-Scale Observation of Electrochemically Reversible Phase Transformations in SnSe2 Single Crystals (Adv. Mater. 51/2018) Advanced Materials. 30: 1870393. DOI: 10.1002/Adma.201870393  0.53
2017 Liu H, Li Q, Yao Z, Li L, Li Y, Wolverton C, Hersam MC, Wu J, Dravid VP. Origin of Fracture-Resistance to Large Volume Change in Cu-Substituted Co3 O4 Electrodes. Advanced Materials (Deerfield Beach, Fla.). PMID 29210479 DOI: 10.1002/Adma.201704851  0.542
2017 He K, Yao Z, Hwang S, Li N, Sun K, Gan H, Du Y, Zhang H, Wolverton C, Su D. Kinetically-Driven Phase Transformation during Lithiation in Copper Sulfide Nanoflakes. Nano Letters. PMID 28800243 DOI: 10.1021/Acs.Nanolett.7B02694  0.596
2017 Zhan C, Yao Z, Lu J, Ma L, Maroni VA, Li L, Lee E, Alp EE, Wu T, Wen J, Ren Y, Johnson C, Thackeray MM, Chan MKY, Wolverton C, et al. Enabling the high capacity of lithium-rich anti-fluorite lithium iron oxide by simultaneous anionic and cationic redox Nature Energy. 2: 963-971. DOI: 10.1038/S41560-017-0043-6  0.58
2017 Amsler M, Yao Z, Wolverton C. Cubine, a Quasi Two-Dimensional Copper–Bismuth Nanosheet Chemistry of Materials. 29: 9819-9828. DOI: 10.1021/Acs.Chemmater.7B03997  0.718
2017 Yao Z, Kim S, Aykol M, Li Q, Wu J, He J, Wolverton C. Revealing the Conversion Mechanism of Transition Metal Oxide Electrodes during Lithiation from First-Principles Chemistry of Materials. 29: 9011-9022. DOI: 10.1021/Acs.Chemmater.7B02058  0.747
2017 Wu J, Li Q, Yao Z, Mitra S, Hao S, Subhra Sahu T, Li Y, Wolverton CM, Dravid VP. In-situ Electron Diffraction Studies of Sodium Electrochemistry in MoS2 Microscopy and Microanalysis. 23: 2050-2051. DOI: 10.1017/S1431927617010911  0.451
2017 Li Q, Yao Z, Wu J, Mitra S, Hao S, Sahu TS, Li Y, Wolverton C, Dravid VP. Intermediate phases in sodium intercalation into MoS2 nanosheets and their implications for sodium-ion batteries Nano Energy. 38: 342-349. DOI: 10.1016/J.Nanoen.2017.05.055  0.615
2017 Bin H, Yao Z, Zhu S, Zhu C, Pan H, Chen Z, Wolverton C, Zhang D. A high-performance anode material based on FeMnO3/graphene composite Journal of Alloys and Compounds. 695: 1223-1230. DOI: 10.1016/J.Jallcom.2016.10.249  0.592
2016 Li Q, Liu H, Yao Z, Cheng J, Li T, Li Y, Wolverton C, Wu J, Dravid VP. Electrochemistry of Selenium with Sodium and Lithium: Kinetics and Reaction Mechanism. Acs Nano. PMID 27564846 DOI: 10.1021/Acsnano.6B04519  0.588
2016 Li Q, Liu H, Yao Z, Wolverton C, Wu J, Dravid VP. Kinetics of Sodium and Selenium Reactions in Sodium Ion Batteries Microscopy and Microanalysis. 22: 826-829. DOI: 10.1017/S1431927616004980  0.544
2016 Wu J, Li Q, Yao Z, Wolverton CM, Thackeray MM, Dravid VP. Atomic-resolution in-situ TEM Studies of Lithium Electrochemistry in Co3O4-Carbon Nanotube Nanocomposite Microscopy and Microanalysis. 22: 762-763. DOI: 10.1017/S1431927616004669  0.465
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