Ab Initio Electrochemistry: Exploring the Hydrogen Evolution Reaction on Carbon Nanotubes
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چکیده
منابع مشابه
Ab Initio Electrochemistry: Exploring the Hydrogen Evolution Reaction on Carbon Nanotubes
Density functional theory (DFT) was employed to investigate the hydrogen evolution reaction (HER) on pristine and nitrogen doped carbon nanotubes (CNTs) in acidic solution. As the reaction is an electrocatalytic surface reaction, an accurate description of HER requires performing simulations under constant electrode potential conditions. To this end, we examined HER at several electrode charges...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry C
سال: 2015
ISSN: 1932-7447,1932-7455
DOI: 10.1021/acs.jpcc.5b04739