Penghao Xiao
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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
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
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
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
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
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
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
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
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
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
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
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
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
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
Breaking Down the Crystallinity: The Path for Advanced Lithium Batteries
AM Chenxi Zu , Andrei Dolocan , Penghao Xiao , Shannon Stauffer , Graeme ...
Advanced energy materials, 2015
Unification of algorithms for minimum mode optimization
Y Zeng, P Xiao, G Henkelman
The Journal of chemical physics 140 (4), 044115, 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
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
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
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
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