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
Engineering the Mechanical Properties of Monolayer Graphene Oxide at the Atomic Level.
Rafael A. Soler-Crespo,Wei Gao,Penghao Xiao,Xiaoding Wei,Jeffrey T. Paci,Graeme Henkelman,Horacio D. Espinosa +6 more
TL;DR: It is revealed that the deformation and failure of graphene oxide are strongly dependent on the relative concentrations of epoxide (-O-) and hydroxyl (-OH) functional groups, and should be treated as a versatile, tunable material that may be engineered by controlling chemical composition.
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Enhanced Charge-Transfer Kinetics by Anion Surface Modification of LiFePO4
Kyusung Park,Kyusung Park,Penghao Xiao,So-Yeon Kim,Anthony G. Dylla,Young-Min Choi,Graeme Henkelman,Keith J. Stevenson,John B. Goodenough +8 more
TL;DR: Li et al. as mentioned in this paper demonstrate that the undercoordinated Fe2+/Fe3+ redox couple at the surface gives a high barrier for charge transfer, but it can be stabilized by nitrogen or sulfur adsorption.
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Unification of algorithms for minimum mode optimization
TL;DR: The Lanczos method finds the lowest eigenvalue in a Krylov subspace of increasing size, while the other methods search in a smaller subspace spanned by the set of previous search directions, and hence the theoretical efficiency of the minimum mode finding methods are bounded by the Lanczo method.
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Sodium Intercalation Behavior of Layered NaxNbS2 (0≤x≤1)
TL;DR: In this article, a layered sulfide, Na0.5NbS2 (space group: P63/mmc), was synthesized by a conventional solid-state reaction as an electrode material for a Na-ion battery.
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Suppressing the bipolar contribution to the thermoelectric properties of Mg2Si0.4Sn0.6 by Ge substitution
TL;DR: In this article, a combined experimental and theoretical investigation of Ge-substitution effects on the band structures and thermoelectric properties of Sb-doped Mg2Si0.4Sn0.6−yGey (y = 0, 0.1, and 0.2) synthesized by solid state reaction was conducted.