| A generalized solid-state nudged elastic band method D Sheppard, P Xiao, W Chemelewski, DD Johnson, G Henkelman The Journal of chemical physics 136 (7), 2012 | 1008 | 2012 |
| Removal of Interstitial H2O in Hexacyanometallates for a Superior Cathode of a Sodium-Ion Battery J Song, L Wang, Y Lu, J Liu, B Guo, P Xiao, JJ Lee, XQ Yang, ... Journal of the American Chemical Society 137 (7), 2658-2664, 2015 | 844 | 2015 |
| Metal–oxygen decoordination stabilizes anion redox in Li-rich oxides J Hong, WE Gent, P Xiao, K Lim, DH Seo, J Wu, PM Csernica, CJ Takacs, ... Nature materials 18 (3), 256-265, 2019 | 374 | 2019 |
| The interplay between thermodynamics and kinetics in the solid-state synthesis of layered oxides M Bianchini, J Wang, RJ Clément, B Ouyang, P Xiao, D Kitchaev, T Shi, ... Nature materials 19 (10), 1088-1095, 2020 | 201 | 2020 |
| Simple synthesis of nanocrystalline tin sulfide/N-doped reduced graphene oxide composites as lithium ion battery anodes DH Youn, SK Stauffer, P Xiao, H Park, Y Nam, A Dolocan, G Henkelman, ... ACS nano 10 (12), 10778-10788, 2016 | 191 | 2016 |
| Linear topology in amorphous metal oxide electrochromic networks obtained via low-temperature solution processing A Llordés, Y Wang, A Fernandez-Martinez, P Xiao, T Lee, A Poulain, ... Nature materials 15 (12), 1267-1273, 2016 | 190 | 2016 |
| Additional sodium insertion into polyanionic cathodes for higher‐energy Na‐ion batteries M Bianchini, P Xiao, Y Wang, G Ceder Advanced Energy Materials 7 (18), 1700514, 2017 | 184 | 2017 |
| Interfacial adhesion between graphene and silicon dioxide by density functional theory with van der Waals corrections W Gao, P Xiao, G Henkelman, KM Liechti, R Huang Journal of Physics D: Applied Physics 47 (25), 255301, 2014 | 169 | 2014 |
| Solid-state dimer method for calculating solid-solid phase transitions P Xiao, D Sheppard, J Rogal, G Henkelman The Journal of chemical physics 140 (17), 2014 | 149 | 2014 |
| Calculations of oxygen stability in lithium-rich layered cathodes P Xiao, ZQ Deng, A Manthiram, G Henkelman The Journal of Physical Chemistry C 116 (44), 23201-23204, 2012 | 129 | 2012 |
| Theoretical Study of the Structural Evolution of a Na2FeMn(CN)6 Cathode upon Na Intercalation P Xiao, J Song, L Wang, JB Goodenough, G Henkelman Chemistry of Materials 27 (10), 3763-3768, 2015 | 117 | 2015 |
| A highly efficient double-hierarchical sulfur host for advanced lithium–sulfur batteries L Hu, C Dai, JM Lim, Y Chen, X Lian, M Wang, Y Li, P Xiao, G Henkelman, ... Chemical science 9 (3), 666-675, 2018 | 112 | 2018 |
| Morphological Dependence of Lithium Insertion in Nanocrystalline TiO2 (B) Nanoparticles and Nanosheets AG Dylla, P Xiao, G Henkelman, KJ Stevenson The Journal of Physical Chemistry Letters, 2012 | 110 | 2012 |
| Theoretical and experimental study of vanadium-based fluorophosphate cathodes for rechargeable batteries M Xu, P Xiao, S Stauffer, J Song, G Henkelman, JB Goodenough Chemistry of Materials 26 (10), 3089-3097, 2014 | 103 | 2014 |
| Breaking Down the Crystallinity: The Path for Advanced Lithium Batteries AM Chenxi Zu , Andrei Dolocan , Penghao Xiao , Shannon Stauffer , Graeme ... Advanced energy materials, 2015 | 89* | 2015 |
| Unification of algorithms for minimum mode optimization Y Zeng, P Xiao, G Henkelman The Journal of chemical physics 140 (4), 2014 | 85 | 2014 |
| Enhanced Charge-Transfer Kinetics by Anion Surface Modification of LiFePO4 KS Park, P Xiao, SY Kim, A Dylla, YM Choi, G Henkelman, KJ Stevenson, ... Chemistry of Materials 24 (16), 3212-3218, 2012 | 83 | 2012 |
| Understanding surface densified phases in Ni-rich layered compounds P Xiao, T Shi, W Huang, G Ceder ACS Energy Letters 4 (4), 811-818, 2019 | 80 | 2019 |
| Highly reversible oxygen redox in layered compounds enabled by surface polyanions Q Chen, Y Pei, H Chen, Y Song, L Zhen, CY Xu, P Xiao, G Henkelman Nature Communications 11 (1), 3411, 2020 | 76 | 2020 |
| Suppressing the bipolar contribution to the thermoelectric properties of Mg2Si0. 4Sn0. 6 by Ge substitution L Zhang, P Xiao, L Shi, G Henkelman, JB Goodenough, J Zhou Journal of Applied Physics 117 (15), 2015 | 76 | 2015 |
Graeme HenkelmanProfessor of Chemistry, University of TexasVerified email at utexas.edu
