jp9b08827_si_001.pdf (291.09 kB)
Cu@g‑C3N4: An Efficient Single-Atom Electrocatalyst for NO Electrochemical Reduction with Suppressed Hydrogen Evolution
journal contribution
posted on 2019-12-12, 20:43 authored by Qian Wu, Wei Wei, Xingshuai Lv, Yuanyuan Wang, Baibiao Huang, Ying DaiNitric oxide electroreduction reaction (NOER) is one
of the most
attractive routes for ammonia synthesis and pollutant treatment. However,
the current research efforts toward the NOER mainly focus on metal
surface catalysts, while low-cost and high-efficiency single-atom
catalysts (SACs) are rarely explored. Herein, using first-principles
computations, we systematically investigate the NOER performance of
a series of transition-metal-atom-decorated graphitic carbon nitride
monolayer (g-C3N4) and identify single Cu-atom-decorated
g-C3N4 (Cu@g-C3N4) as
the most promising SAC candidate for the NOER. Our results indicate
that Cu@g-C3N4 harbors excellent catalytic activity
for the NOER with a quite low limiting potential of 0.371 V and, interestingly,
is promising to be synthesized due to extremely high stability. Most
importantly, Cu@g-C3N4 can efficiently suppress
the competing hydrogen evolution reaction, in favor of achieving high
Faradaic efficiency. Our work provides a promising SAC candidate for
the NOER to resolve environmental pollution and sustainable ammonia
production.
History
Usage metrics
Categories
Keywords
Efficient Single-Atom ElectrocatalystSuppressed Hydrogen Evolution Nitric oxide electroreduction reactionmetal surface catalystshydrogen evolution reactiong-C 3 N 4Cu-atom-decorated g-C 3 N 4SAC candidateNOERhigh-efficiency single-atom catalyststransition-metal-atom-decorated graphitic carbon nitride monolayer