Nanocarbon synthesis by high-temperature oxidation of nanoparticles

Nomura, Ken-ichi; Kalia, Rajiv K.; Li, Ying; Nakano, Aiichiro; Rajak, Pankaj; Sheng, Chunyang; Shimamura, Kohei; Shimojo, Fuyuki; Vashishta, Priya

doi:10.1038/srep24109

Title: Nanocarbon synthesis by high-temperature oxidation of nanoparticles

Journal Article · Wed Apr 20 00:00:00 EDT 2016 · Scientific Reports

DOI:https://doi.org/10.1038/srep24109· OSTI ID:1307566

Nomura, Ken-ichi ^[1]; Kalia, Rajiv K. ^[1]; Li, Ying ^[2]; Nakano, Aiichiro ^[1]; Rajak, Pankaj ^[1]; Sheng, Chunyang ^[1]; Shimamura, Kohei ^[3]; Shimojo, Fuyuki ^[4]; Vashishta, Priya ^[1]

Univ. of Southern California, Los Angeles, CA (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Univ. of Southern California, Los Angeles, CA (United States); Kumamoto Univ., Kumamoto (Japan); Kobe Univ., Kobe (Japan)
Kumamoto Univ., Kumamoto (Japan)

High-temperature oxidation of silicon-carbide nanoparticles (nSiC) underlies a wide range of technologies from high-power electronic switches for efficient electrical grid and thermal protection of space vehicles to self-healing ceramic nanocomposites. Here, multimillion-atom reactive molecular dynamics simulations validated by ab initio quantum molecular dynamics simulations predict unexpected condensation of large graphene flakes during high-temperature oxidation of nSiC. Initial oxidation produces a molten silica shell that acts as an autocatalytic ‘nanoreactor’ by actively transporting oxygen reactants while protecting the nanocarbon product from harsh oxidizing environment. Percolation transition produces porous nanocarbon with fractal geometry, which consists of mostly sp² carbons with pentagonal and heptagonal defects. Furthermore, this work suggests a simple synthetic pathway to high surface-area, low-density nanocarbon with numerous energy, biomedical and mechanical-metamaterial applications, including the reinforcement of self-healing composites.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: Argonne National Laboratory - Argonne Leadership Computing Facility; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1307566

Journal Information:: Scientific Reports, Vol. 6; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 12 works

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