Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | 이상욱 | - |
dc.date.accessioned | 2022-11-28T00:45:10Z | - |
dc.date.available | 2022-11-28T00:45:10Z | - |
dc.date.issued | 2019-10 | - |
dc.identifier.citation | Journal of Materials Chemistry A, v. 7.0, NO. 39, Page. 22615-22620 | en_US |
dc.identifier.issn | 2050-7488;2050-7496 | en_US |
dc.identifier.uri | https://pubs.rsc.org/en/content/articlelanding/2019/TA/C9TA07203A | en_US |
dc.identifier.uri | https://repository.hanyang.ac.kr/handle/20.500.11754/177498 | - |
dc.description.abstract | Sulfur defects have been used to enhance the catalytic activity of carbon-based nanostructures in the hydrogen evolution reaction (HER). This is accomplished by increase in the hydrogen adsorption ability due to the large size of sulfur atoms, which increases the sp(3) character of graphene carbons. However, the effect of sulfur oxidation on the HER activity has not yet been discussed, even though sulfur can easily be oxidized to sulfur oxide (SOx) in acidic environments, which may decrease the metallicity of graphene by opening the bandgap. Herein, we systematically investigate the HER activity of SOx-incorporated graphene, SOx@G (x = 2, 3 or 4), based on electronic, thermodynamic and kinetic viewpoints. Our results reveal that SO3@G on the basal plane has superior HER catalytic activity due to its metallic nature and ability to stabilize adsorbed hydrogen (H*) which results from electrostatic interactions between SO3 and H* in an intermediate state. As a thermodynamic descriptor of the HER activity, the hydrogen binding Gibbs free energy (Delta GVolmerH*) is calculated to be -0.04 eV for SO3@G in the Volmer step. In addition, the activation energies in both the Volmer and Tafel steps (Delta EVolmera and Delta ETafela, respectively) of SO3@G show the lowest energy barriers among SOx@G, taking values of 0.005 eV and 0.14 eV, respectively. Thus, these values can be used as kinetic descriptors and are close to those of conventional Pt catalysts. | en_US |
dc.description.sponsorship | This research was supported by grants from the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT, and Future Planning (2018R1A2B6006320) and the Creative Materials Discovery Program on Creative Multilevel Research Center (2018M3D1A1057844). | en_US |
dc.language | en | en_US |
dc.publisher | Royal Society of Chemistry | en_US |
dc.title | Enhanced catalytic activity of SOx-incorporated graphene for the hydrogen evolution reaction | en_US |
dc.type | Article | en_US |
dc.relation.no | 39 | - |
dc.relation.volume | 7.0 | - |
dc.identifier.doi | 10.1039/c9ta07203a | en_US |
dc.relation.page | 22615-22620 | - |
dc.relation.journal | Journal of Materials Chemistry A | - |
dc.contributor.googleauthor | Lee, Chi Ho | - |
dc.contributor.googleauthor | Nam, Eun Bi | - |
dc.contributor.googleauthor | Lee, Sang Uck | - |
dc.sector.campus | E | - |
dc.sector.daehak | 과학기술융합대학 | - |
dc.sector.department | 화학분자공학과 | - |
dc.identifier.pid | sulee | - |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.