@article{201446,
  author = {Hyung SubSim and Richard A.Yetter and SungwookHong and Adri C.T.van Duin and Daniel M. Dabbs and Ilhan A. Aksay},
  title = {Enhanced Fuel Decomposition in the Presence of Colloidal Functionalized Graphene Sheet-Supported Platinum Nanoparticles},
  abstract = {<p>Experiments and simulations were used to demonstrate that decorating functionalized graphene sheets (FGSs) with platinum nanoparticles (<a href="mailto:Pt@FGS">Pt@FGS</a>) stabilized these particles. Addition of these particles to liquid hydrocarbon fuels was observed to significantly affect decomposition under supercritical conditions at a pressure of 4.75 MPa and temperatures from 753 to 803 K. The suspension of only 50 ppmw <a href="mailto:Pt@FGS">Pt@FGS</a> in the fuel (equivalent to adding 10 ppmw Pt) enhanced fuel conversion rates (by up to 24\%) with a major effect on specific product yields. The production of low-molecular-weight species increased in the pyrolysis products (with the hydrogen yield increasing by a factor of 12.5). ReaxFF molecular dynamics (MD) simulations supported a mechanism in which synergy between Pt and FGS catalyzed dehydrogenation during <em>n</em>-C<sub>12</sub>H<sub>26</sub> pyrolysis. The highest conversion rates and greatest yields of hydrogen and low-molecular-weight species were observed for fuels containing <a href="mailto:Pt@FGS">Pt@FGS</a> particles rather than those containing either FGSs or Pt-clusters alone. Analysis of the platinum decorated FGSs post reaction indicated no deterioration of the composite particles.</p>
},
  year = {2020},
  journal = {ACS Appl. Energy Mater.},
  volume = {3},
  edition = {8},
  pages = {7637{\textendash}7648},
  url = {https://doi.org/10.1021/acsaem.0c01010},
  language = {eng},
}