Surface
Single-Cluster Catalyst for N<sub>2</sub>‑to-NH<sub>3</sub> Thermal Conversion
Xue-Lu Ma
Jin-Cheng Liu
Hai Xiao
Jun Li
10.1021/jacs.7b10354.s001
https://acs.figshare.com/articles/journal_contribution/Surface_Single-Cluster_Catalyst_for_N_sub_2_sub_to-NH_sub_3_sub_Thermal_Conversion/5723221
The
ammonia synthesis from N<sub>2</sub> is of vital importance,
with imitating biological nitrogen fixation attracted much interest.
Herein, we investigate the catalytic mechanisms of N<sub>2</sub>-to-NH<sub>3</sub> thermal conversion on the singly dispersed bimetallic catalyst
Rh<sub>1</sub>Co<sub>3</sub>/CoO(011), and find that the preferred
pathway is an associative mechanism analogous to the biological process,
in which alternating hydrogenations of the N<sub>2</sub> occur, with
H<sub>2</sub> activation on both metal sites. We propose that the
singly dispersed bimetallic M<sub>1</sub>A<sub><i>n</i></sub> catalyst, in which the doped metal atom M substitutes an oxygen
atom on the oxide surface of metal A, serves as a new surface single-cluster
catalyst (SCC) design platform for the biomimetic N<sub>2</sub>-to-NH<sub>3</sub> thermal conversion. The catalytic ability of M<sub>1</sub>A<sub><i>n</i></sub> catalyst is attributed to both the
charge buffer capacity of doped metal M and the complementary role
of synergic metal A in catalysis. Our work provides insights and guidelines
for further optimizing the M<sub>1</sub>A<sub><i>n</i></sub> catalyst.
2017-12-15 00:00:00
bimetallic M 1
H 2 activation
conversion
surface single-cluster catalyst
mechanism
to-NH 3
charge buffer capacity
n catalyst
metal atom M substitutes
SCC
M 1
Surface Single-Cluster Catalyst
N 2
biomimetic N 2