P
Penghao Xiao
Researcher at Lawrence Livermore National Laboratory
Publications - 60
Citations - 3823
Penghao Xiao is an academic researcher from Lawrence Livermore National Laboratory. The author has contributed to research in topics: Chemistry & Density functional theory. The author has an hindex of 25, co-authored 52 publications receiving 2755 citations. Previous affiliations of Penghao Xiao include University of California, Berkeley & University of Texas at Austin.
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Journal ArticleDOI
A generalized solid-state nudged elastic band method.
Daniel Sheppard,Penghao Xiao,William D. Chemelewski,William D. Chemelewski,Duane D. Johnson,Duane D. Johnson,Duane D. Johnson,Graeme Henkelman +7 more
TL;DR: A generalized solid-state nudged elastic band (G-SSNEB) method is presented for determining reaction pathways of solid-solid transformations involving both atomic and unit-cell degrees of freedom and it is demonstrated that the method is robust for mechanisms dominated either by atomic motion or by unit- cell deformation.
Journal ArticleDOI
Removal of interstitial H2O in hexacyanometallates for a superior cathode of a sodium-ion battery.
Jie Song,Long Wang,Yuhao Lu,Jue Liu,Bingkun Guo,Penghao Xiao,Jong Jan Lee,Xiao-Qing Yang,Graeme Henkelman,John B. Goodenough +9 more
TL;DR: The newly discovered dehydrated Na2-δMnHFC phase exhibits superior electrochemical performance compared to other reported Na-ion cathode materials and delivers at 3.5 V a reversible capacity in a sodium half cell and 140 mAh g(-1) in a full cell with a hard-carbon anode.
Journal ArticleDOI
Metal-oxygen decoordination stabilizes anion redox in Li-rich oxides.
Jihyun Hong,William E. Gent,William E. Gent,Penghao Xiao,Kipil Lim,Dong-Hwa Seo,Jinpeng Wu,Jinpeng Wu,Peter M. Csernica,Christopher J. Takacs,Dennis Nordlund,Cheng-Jun Sun,Kevin H. Stone,Donata Passarello,Wanli Yang,David Prendergast,Gerbrand Ceder,Gerbrand Ceder,Michael F. Toney,William C. Chueh,William C. Chueh +20 more
TL;DR: These insights establish a point defect explanation for why anion redox often occurs alongside local structural disordering and voltage hysteresis during cycling, and offer an explanation for the unique electrochemical properties of lithium-rich layered oxides.
Journal ArticleDOI
Simple Synthesis of Nanocrystalline Tin Sulfide/N-Doped Reduced Graphene Oxide Composites as Lithium Ion Battery Anodes
Duck Hyun Youn,Shannon K. Stauffer,Penghao Xiao,Hunmin Park,Yejin Nam,Andrei Dolocan,Graeme Henkelman,Adam Heller,C. Buddie Mullins +8 more
TL;DR: The best cycling SnS2/NRGO-derived composite retained a specific capacity of 562 mAh g-1 at the 200th cycle at 0.2 A g- 1 rate.
Journal ArticleDOI
Additional Sodium Insertion into Polyanionic Cathodes for Higher-Energy Na-Ion Batteries
Matteo Bianchini,Matteo Bianchini,Penghao Xiao,Yan Wang,Yan Wang,Gerbrand Ceder,Gerbrand Ceder +6 more
TL;DR: In this paper, a significant increase in specific energy was achieved by enabling sodium insertion into Na3V2PO42FO2 to reach Na4V2(PO4 2FO2) upon discharge.