Year |
Citation |
Score |
2022 |
Pei Y, Chen Q, Wang M, Zhang P, Ren Q, Qin J, Xiao P, Song L, Chen Y, Yin W, Tong X, Zhen L, Wang P, Xu CY. A medium-entropy transition metal oxide cathode for high-capacity lithium metal batteries. Nature Communications. 13: 6158. PMID 36257951 DOI: 10.1038/s41467-022-33927-0 |
0.32 |
|
2021 |
Lu S, Nam H, Xiao P, Liu M, Guo Y, Bai Y, Cheng Z, Deng J, Li Y, Zhou H, Henkelman G, Fiete GA, Gao HJ, MacDonald AH, Zhang C, et al. PTCDA Molecular Monolayer on Pb Thin Films: An Unusual π-Electron Kondo System and Its Interplay with a Quantum-Confined Superconductor. Physical Review Letters. 127: 186805. PMID 34767397 DOI: 10.1103/PhysRevLett.127.186805 |
0.434 |
|
2020 |
Chen Q, Pei Y, Chen H, Song Y, Zhen L, Xu CY, Xiao P, Henkelman G. Highly reversible oxygen redox in layered compounds enabled by surface polyanions. Nature Communications. 11: 3411. PMID 32641725 DOI: 10.1038/S41467-020-17126-3 |
0.546 |
|
2020 |
Bai J, Sun W, Zhao J, Wang D, Xiao P, Ko JYP, Huq A, Ceder G, Wang F. Kinetic Pathways Templated by Low-temperature Intermediates during Solid-state Synthesis of Layered Oxides Chemistry of Materials. DOI: 10.1021/Acs.Chemmater.0C02568 |
0.338 |
|
2019 |
Hong J, Gent WE, Xiao P, Lim K, Seo DH, Wu J, Csernica PM, Takacs CJ, Nordlund D, Sun CJ, Stone KH, Passarello D, Yang W, Prendergast D, Ceder G, et al. Metal-oxygen decoordination stabilizes anion redox in Li-rich oxides. Nature Materials. PMID 30718861 DOI: 10.1038/S41563-018-0276-1 |
0.365 |
|
2019 |
Xiao P, Shi T, Huang W, Ceder G. Understanding Surface Densified Phases in Ni-Rich Layered Compounds Acs Energy Letters. 4: 811-818. DOI: 10.1021/Acsenergylett.9B00122 |
0.353 |
|
2018 |
Hu L, Dai C, Lim JM, Chen Y, Lian X, Wang M, Li Y, Xiao P, Henkelman G, Xu M. A highly efficient double-hierarchical sulfur host for advanced lithium-sulfur batteries. Chemical Science. 9: 666-675. PMID 29629134 DOI: 10.1039/C7Sc03960C |
0.754 |
|
2018 |
Xiao P, Henkelman G. Kinetic Monte Carlo Study of Li Intercalation in LiFePO4. Acs Nano. 12: 844-851. PMID 29272576 DOI: 10.1021/Acsnano.7B08278 |
0.58 |
|
2018 |
Shi T, Xiao P, Kwon D, Sai Gautam G, Chakarawet K, Kim H, Bo S, Ceder G. Shear-Assisted Formation of Cation-Disordered Rocksalt NaMO2 (M = Fe or Mn) Chemistry of Materials. 30: 8811-8821. DOI: 10.1021/Acs.Chemmater.8B03490 |
0.301 |
|
2018 |
Jang J, Lee E, Xiao P, Park K, Kim IY, Henkelman G, Hwang S, Kwon Y, Goodenough JB. Superior Oxygen Electrocatalysis on RuSe x Nanoparticles for Rechargeable Air Cathodes Advanced Energy Materials. 8: 1702037. DOI: 10.1002/Aenm.201702037 |
0.462 |
|
2017 |
Barmak K, Liu J, Harlan L, Xiao P, Duncan J, Henkelman G. Transformation of topologically close-packed β-W to body-centered cubic α-W: Comparison of experiments and computations. The Journal of Chemical Physics. 147: 152709. PMID 29055319 DOI: 10.1063/1.4995261 |
0.739 |
|
2017 |
Rong Z, Xiao P, Liu M, Huang W, Hannah DC, Scullin W, Persson KA, Ceder G. Fast Mg(2+) diffusion in Mo3(PO4)3O for Mg batteries. Chemical Communications (Cambridge, England). PMID 28664208 DOI: 10.1039/C7Cc02903A |
0.348 |
|
2017 |
Lian X, Xiao P, Liu R, Henkelman G. Communication: Calculations of the (2 × 1)-O reconstruction kinetics on Cu(110). The Journal of Chemical Physics. 146: 111101. PMID 28330350 DOI: 10.1063/1.4978578 |
0.485 |
|
2017 |
Chen Q, Xiao P, Pei Y, Song Y, Xu C, Zhen L, Henkelman G. Structural transformations in Li2MnSiO4: evidence that a Li intercalation material can reversibly cycle through a disordered phase Journal of Materials Chemistry A. 5: 16722-16731. DOI: 10.1039/C7Ta03049E |
0.566 |
|
2017 |
Lian X, Xiao P, Liu R, Henkelman G. Calculations of Oxygen Adsorption-Induced Surface Reconstruction and Oxide Formation on Cu(100) Chemistry of Materials. 29: 1472-1484. DOI: 10.1021/Acs.Chemmater.6B02722 |
0.513 |
|
2017 |
Bianchini M, Xiao P, Wang Y, Ceder G. Additional Sodium Insertion into Polyanionic Cathodes for Higher-Energy Na-Ion Batteries Advanced Energy Materials. 7: 1700514. DOI: 10.1002/Aenm.201700514 |
0.371 |
|
2016 |
Youn DH, Stauffer SK, Xiao P, Park H, Nam Y, Dolocan A, Henkelman G, Heller A, Mullins CB. Simple Synthesis of Nanocrystalline Tin Sulfide/N-Doped Reduced Graphene Oxide Composites as Lithium Ion Battery Anodes. Acs Nano. 10: 10778-10788. PMID 28024327 DOI: 10.1021/Acsnano.6B04214 |
0.737 |
|
2016 |
Llordés A, Wang Y, Fernandez-Martinez A, Xiao P, Lee T, Poulain A, Zandi O, Saez Cabezas CA, Henkelman G, Milliron DJ. Linear topology in amorphous metal oxide electrochromic networks obtained via low-temperature solution processing. Nature Materials. PMID 27548708 DOI: 10.1038/Nmat4734 |
0.523 |
|
2016 |
Lian X, Xiao P, Yang SC, Liu R, Henkelman G. Calculations of oxide formation on low-index Cu surfaces. The Journal of Chemical Physics. 145: 044711. PMID 27475390 DOI: 10.1063/1.4959903 |
0.503 |
|
2016 |
Soler-Crespo RA, Gao W, Xiao P, Wei X, Paci JT, Henkelman G, Espinosa HD. Engineering the Mechanical Properties of Monolayer Graphene Oxide at the Atomic Level. The Journal of Physical Chemistry Letters. PMID 27356465 DOI: 10.1021/Acs.Jpclett.6B01027 |
0.531 |
|
2016 |
Zhang L, Xiao P, Shi L, Henkelman G, Goodenough JB, Zhou J. Localized Mg-vacancy states in the thermoelectric material Mg2- δSi0.4Sn0.6 Journal of Applied Physics. 119. DOI: 10.1063/1.4942012 |
0.515 |
|
2016 |
Zu C, Dolocan A, Xiao P, Stauffer S, Henkelman G, Manthiram A. Breaking Down the Crystallinity: The Path for Advanced Lithium Batteries Advanced Energy Materials. 6. DOI: 10.1002/Aenm.201501933 |
0.747 |
|
2015 |
Xiao P, Duncan J, Zhang L, Henkelman G. Ridge-based bias potentials to accelerate molecular dynamics. The Journal of Chemical Physics. 143: 244104. PMID 26723648 DOI: 10.1063/1.4937393 |
0.744 |
|
2015 |
Song J, Wang L, Lu Y, Liu J, Guo B, Xiao P, Lee JJ, Yang XQ, Henkelman G, Goodenough JB. Removal of interstitial H2O in hexacyanometallates for a superior cathode of a sodium-ion battery. Journal of the American Chemical Society. 137: 2658-64. PMID 25679040 DOI: 10.1021/Ja512383B |
0.584 |
|
2015 |
Zhang L, Xiao P, Shi L, Henkelman G, Goodenough JB, Zhou J. Suppressing the bipolar contribution to the thermoelectric properties of Mg2Si0.4Sn0.6 by Ge substitution Journal of Applied Physics. 117. DOI: 10.1063/1.4918311 |
0.517 |
|
2015 |
Xiao P, Song J, Wang L, Goodenough JB, Henkelman G. Theoretical study of the structural evolution of a Na2FeMn(CN)6 cathode upon Na intercalation Chemistry of Materials. 27: 3763-3768. DOI: 10.1021/Acs.Chemmater.5B01132 |
0.598 |
|
2014 |
Chill ST, Stevenson J, Ruehle V, Shang C, Xiao P, Farrell JD, Wales DJ, Henkelman G. Benchmarks for Characterization of Minima, Transition States, and Pathways in Atomic, Molecular, and Condensed Matter Systems. Journal of Chemical Theory and Computation. 10: 5476-82. PMID 26583230 DOI: 10.1021/Ct5008718 |
0.751 |
|
2014 |
Zeng Y, Xiao P, Henkelman G. Unification of algorithms for minimum mode optimization. The Journal of Chemical Physics. 140: 044115. PMID 25669513 DOI: 10.1063/1.4862410 |
0.494 |
|
2014 |
Xiao P, Wu Q, Henkelman G. Basin constrained κ-dimer method for saddle point finding. The Journal of Chemical Physics. 141: 164111. PMID 25362276 DOI: 10.1063/1.4898664 |
0.528 |
|
2014 |
Xiao P, Sheppard D, Rogal J, Henkelman G. Solid-state dimer method for calculating solid-solid phase transitions. The Journal of Chemical Physics. 140: 174104. PMID 24811622 DOI: 10.1063/1.4873437 |
0.758 |
|
2014 |
Gao W, Xiao P, Henkelman G, Liechti KM, Huang R. Interfacial adhesion between graphene and silicon dioxide by density functional theory with van der Waals corrections Journal of Physics D: Applied Physics. 47. DOI: 10.1088/0022-3727/47/25/255301 |
0.516 |
|
2014 |
Murugesan S, Quintero OA, Chou BP, Xiao P, Park K, Hall JW, Jones RA, Henkelman G, Goodenough JB, Stevenson KJ. Wide electrochemical window ionic salt for use in electropositive metal electrodeposition and solid state Li-ion batteries Journal of Materials Chemistry A. 2: 2194-2201. DOI: 10.1039/C3Ta15010K |
0.583 |
|
2014 |
Chill ST, Stevenson J, Ruehle V, Shang C, Xiao P, Farrell JD, Wales DJ, Henkelman G. Benchmarks for characterization of minima, transition states, and pathways in atomic, molecular, and condensed matter systems Journal of Chemical Theory and Computation. 10: 5476-5482. DOI: 10.1021/ct5008718 |
0.737 |
|
2014 |
Xu M, Xiao P, Stauffer S, Song J, Henkelman G, Goodenough JB. Theoretical and experimental study of vanadium-based fluorophosphate cathodes for rechargeable batteries Chemistry of Materials. 26: 3089-3097. DOI: 10.1021/Cm500106W |
0.745 |
|
2013 |
Xiao P, Cheng JG, Zhou JS, Goodenough JB, Henkelman G. Mechanism of the CaIrO3 post-perovskite phase transition under pressure Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.144102 |
0.519 |
|
2013 |
Membreño N, Xiao P, Park KS, Goodenough JB, Henkelman G, Stevenson KJ. In situ raman study of phase stability of α-Li3V 2(PO4)3 upon thermal and laser heating Journal of Physical Chemistry C. 117: 11994-12002. DOI: 10.1021/Jp403282A |
0.585 |
|
2013 |
Liao Y, Park KS, Xiao P, Henkelman G, Li W, Goodenough JB. Sodium Intercalation Behavior of Layered NaxNbS2 (0 ≤ x ≤ 1) Chemistry of Materials. 25: 1699-1705. DOI: 10.1021/Cm400150U |
0.569 |
|
2012 |
Xiao P, Henkelman G. Communication: From graphite to diamond: reaction pathways of the phase transition. The Journal of Chemical Physics. 137: 101101. PMID 22979841 DOI: 10.1063/1.4752249 |
0.535 |
|
2012 |
Sheppard D, Xiao P, Chemelewski W, Johnson DD, Henkelman G. A generalized solid-state nudged elastic band method. The Journal of Chemical Physics. 136: 074103. PMID 22360232 DOI: 10.1063/1.3684549 |
0.745 |
|
2012 |
Xiao P, Henkelman G. Communication: From graphite to diamond: Reaction pathways of the phase transition Journal of Chemical Physics. 137. DOI: 10.1063/1.4752249 |
0.58 |
|
2012 |
Dylla AG, Xiao P, Henkelman G, Stevenson KJ. Morphological dependence of lithium insertion in nanocrystalline TiO 2(B) nanoparticles and nanosheets Journal of Physical Chemistry Letters. 3: 2015-2019. DOI: 10.1021/Jz300766A |
0.513 |
|
2012 |
Xiao P, Deng Z, Manthiram A, Henkelman G. Calculations of Oxygen Stability in Lithium-Rich Layered Cathodes Journal of Physical Chemistry C. 116: 23201-23204. DOI: 10.1021/Jp3058788 |
0.535 |
|
2012 |
Park KS, Xiao P, Kim SY, Dylla A, Choi YM, Henkelman G, Stevenson KJ, Goodenough JB. Enhanced charge-transfer kinetics by anion surface modification of LiFePO4 Chemistry of Materials. 24: 3212-3218. DOI: 10.1021/Cm301569M |
0.526 |
|
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