Theoretical Insight into the Hydrogen Evolution Activity of Open-Ended Carbon Nanotubes

Journal of Physical Chemistry Letters

Volumn 6, Issue 19, 2015, Pages 3956-3960

  Holmberg, Nico ^a   Laasonen, Kari ^a  

^a AALTO UNIVERSITY   (Finland)

Author keywords

density functional theory; electrocatalysis; hydrogen evolution reaction; nudged elastic band method; proton coupled electron transfer; ring size effect

Indexed keywords

CARBON; DENSITY FUNCTIONAL THEORY; ELECTROCATALYSIS; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; HYDROGEN; METAL NANOPARTICLES; NANOTUBES; YARN;

ELECTRON TRANSFER; ELECTRONIC STRUCTURE CALCULATIONS; HYDROGEN EVOLUTION; HYDROGEN EVOLUTION REACTIONS; NUDGED ELASTIC BAND METHODS; OPEN-ENDED CARBON NANOTUBES; PROTON COUPLED ELECTRON TRANSFERS; RING SIZE EFFECTS;

CARBON NANOTUBES;

EID: 84943161267     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b01846     Document Type: Article

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