Rational Design of TiC-Supported Single-Atom Electrocatalysts for Hydrogen Evolution and Selective Oxygen Reduction Reactions

Cited 1 time in webofscience Cited 0 time in scopus
  • Hit : 53
  • Download : 0
We use a combination of density functional theory (DFT) calculations and experimental approaches to explore the stability and electrocatalytic activity of a wide range of transition-metal single atoms on a TiC support. Our theoretical prediction that single atoms can be stabilized on the modified TiC surface is confirmed by experimental findings using them on a TiC support. The predicted activities where Pt and Au single atoms would be the best for hydrogen evolution and selective oxygen reduction reactions, respectively, agree well with experimental results. This rational strategy using computational modeling of materials enables effective design of highly active and stable single-atom catalysts.
Publisher
AMER CHEMICAL SOC
Issue Date
2019-01
Language
English
Article Type
Article
Citation

ACS ENERGY LETTERS, v.4, no.1, pp.126 - 132

ISSN
2380-8195
DOI
10.1021/acsenergylett.8b01942
URI
http://hdl.handle.net/10203/250389
Appears in Collection
CBE-Journal Papers(저널논문)
Files in This Item
There are no files associated with this item.
This item is cited by other documents in WoS
⊙ Detail Information in WoSⓡ Click to see webofscience_button
⊙ Cited 1 items in WoS Click to see citing articles in records_button

qr_code

  • mendeley

    citeulike


rss_1.0 rss_2.0 atom_1.0