| 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), 074103, 2012 | 748 | 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 | 602 | 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 | 255 | 2019 |
| 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 | 166 | 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 | 146 | 2016 |
| 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 | 146 | 2014 |
| 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 | 142 | 2017 |
| 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 | 116 | 2012 |
| 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), 174104, 2014 | 102 | 2014 |
| 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 | 100 | 2012 |
| 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 | 99 | 2020 |
| 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 | 94 | 2018 |
| 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 | 90 | 2015 |
| 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 | 84 | 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 | 77* | 2015 |
| Unification of algorithms for minimum mode optimization Y Zeng, P Xiao, G Henkelman The Journal of chemical physics 140 (4), 044115, 2014 | 75 | 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 | 74 | 2012 |
| Engineering the mechanical properties of monolayer graphene oxide at the atomic level RA Soler-Crespo, W Gao, P Xiao, X Wei, JT Paci, G Henkelman, ... The journal of physical chemistry letters 7 (14), 2702-2707, 2016 | 67 | 2016 |
| 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), 155103, 2015 | 66 | 2015 |
| Sodium Intercalation Behavior of Layered NaxNbS2 (0 ≤ x ≤ 1) Y Liao, KS Park, P Xiao, G Henkelman, W Li, JB Goodenough Chemistry of Materials 25 (9), 1699-1705, 2013 | 65 | 2013 |
Graeme HenkelmanProfessor of Chemistry, University of TexasVerified email at utexas.edu
