Enhanced Fuel Decomposition in the Presence of Colloidal Functionalized Graphene Sheet-Supported Platinum Nanoparticles

Hyung Sub Sim; Richard A. Yetter; Sungwook Hong; Adri C.T. Van Duin; Daniel M. Dabbs; Ilhan A. Aksay

doi:10.1021/acsaem.0c01010

Enhanced Fuel Decomposition in the Presence of Colloidal Functionalized Graphene Sheet-Supported Platinum Nanoparticles

Hyung Sub Sim, Richard A. Yetter, Sungwook Hong, Adri C.T. Van Duin, Daniel M. Dabbs, Ilhan A. Aksay

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

Experiments and simulations were used to demonstrate that decorating functionalized graphene sheets (FGSs) with platinum nanoparticles (Pt@FGS) 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 Pt@FGS 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 n-C12H26 pyrolysis. The highest conversion rates and greatest yields of hydrogen and low-molecular-weight species were observed for fuels containing Pt@FGS 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.

Original language	English (US)
Pages (from-to)	7637-7648
Number of pages	12
Journal	ACS Applied Energy Materials
Volume	3
Issue number	8
DOIs	https://doi.org/10.1021/acsaem.0c01010
State	Published - Aug 24 2020

All Science Journal Classification (ASJC) codes

Chemical Engineering (miscellaneous)
Energy Engineering and Power Technology
Electrochemistry
Materials Chemistry
Electrical and Electronic Engineering

Access to Document

10.1021/acsaem.0c01010

Cite this

@article{d5ab4ba416174dc5833ea30137499f81,

title = "Enhanced Fuel Decomposition in the Presence of Colloidal Functionalized Graphene Sheet-Supported Platinum Nanoparticles",

abstract = "Experiments and simulations were used to demonstrate that decorating functionalized graphene sheets (FGSs) with platinum nanoparticles (Pt@FGS) 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 Pt@FGS 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 n-C12H26 pyrolysis. The highest conversion rates and greatest yields of hydrogen and low-molecular-weight species were observed for fuels containing Pt@FGS 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.",

author = "Sim, {Hyung Sub} and Yetter, {Richard A.} and Sungwook Hong and {Van Duin}, {Adri C.T.} and Dabbs, {Daniel M.} and Aksay, {Ilhan A.}",

note = "Publisher Copyright: {\textcopyright} 2020 American Chemical Society.",

year = "2020",

month = aug,

day = "24",

doi = "10.1021/acsaem.0c01010",

language = "English (US)",

volume = "3",

pages = "7637--7648",

journal = "ACS Applied Energy Materials",

issn = "2574-0962",

publisher = "American Chemical Society",

number = "8",

}

TY - JOUR

T1 - Enhanced Fuel Decomposition in the Presence of Colloidal Functionalized Graphene Sheet-Supported Platinum Nanoparticles

AU - Sim, Hyung Sub

AU - Yetter, Richard A.

AU - Hong, Sungwook

AU - Van Duin, Adri C.T.

AU - Dabbs, Daniel M.

AU - Aksay, Ilhan A.

PY - 2020/8/24

Y1 - 2020/8/24

N2 - Experiments and simulations were used to demonstrate that decorating functionalized graphene sheets (FGSs) with platinum nanoparticles (Pt@FGS) 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 Pt@FGS 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 n-C12H26 pyrolysis. The highest conversion rates and greatest yields of hydrogen and low-molecular-weight species were observed for fuels containing Pt@FGS 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.

AB - Experiments and simulations were used to demonstrate that decorating functionalized graphene sheets (FGSs) with platinum nanoparticles (Pt@FGS) 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 Pt@FGS 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 n-C12H26 pyrolysis. The highest conversion rates and greatest yields of hydrogen and low-molecular-weight species were observed for fuels containing Pt@FGS 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.

UR - http://www.scopus.com/inward/record.url?scp=85091091898&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85091091898&partnerID=8YFLogxK

U2 - 10.1021/acsaem.0c01010

DO - 10.1021/acsaem.0c01010

M3 - Article

AN - SCOPUS:85091091898

SN - 2574-0962

VL - 3

SP - 7637

EP - 7648

JO - ACS Applied Energy Materials

JF - ACS Applied Energy Materials

IS - 8

ER -

Enhanced Fuel Decomposition in the Presence of Colloidal Functionalized Graphene Sheet-Supported Platinum Nanoparticles

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this