High-throughput screening of transition-metal-atom-embedded parallel tetracyanoethylene 2D networks as single-atom electrocatalysts for ammonia synthesis and its …
D Deng, B Song, C Li, LM Yang - The Journal of Physical …, 2022 - ACS Publications
Electrosynthesis of ammonia under mild conditions has been impeded by the lack of high-
performance electrocatalysts. Inspired by the high activity and selectivity of single-atom …
performance electrocatalysts. Inspired by the high activity and selectivity of single-atom …
Boosting Electrocatalytic Ammonia Synthesis from Nitrate with a Dual Active Site Three-Dimensional Copper Electrode
Unbridled anthropogenic activities severely disrupt natural nitrogen cycles, leading to
significant environmental and energy-related issues, including the eutrophication of water …
significant environmental and energy-related issues, including the eutrophication of water …
Magnetic moment is an effective descriptor for electrocatalytic nitrogen reduction reaction on two-dimensional organometallic nanosheets
D Deng, LM Yang - ACS Applied Materials & Interfaces, 2023 - ACS Publications
Electrocatalytic reduction of nitrogen to ammonia (eNRR) under ambient condition is a
potential sustainable and promising alternative to the traditional Haber–Bosch process …
potential sustainable and promising alternative to the traditional Haber–Bosch process …
Electrochemical ammonia synthesis under ambient conditions using TM-embedded porphine-fused sheets as single-atom catalysts
Y Yao, SY Lv, G Li, LM Yang - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
In this research, we systematically investigated the reaction mechanism and electrocatalytic
properties of transition metal anchored two-dimensional (2D) porphine-fused sheets (TM …
properties of transition metal anchored two-dimensional (2D) porphine-fused sheets (TM …
Ammonia synthesis using single-atom catalysts based on two-dimensional organometallic metal phthalocyanine monolayers under ambient conditions
We have identified three novel metal phthalocyanine (MPc, M= Mo, Re, and Tc) single-atom
catalyst candidates with excellent predicted performance for the production of ammonia from …
catalyst candidates with excellent predicted performance for the production of ammonia from …
High-throughput screening to predict highly active dual-atom catalysts for electrocatalytic reduction of nitrate to ammonia
Ammonia is an essential chemical owing to its importance in fertilizer production and other
industrial applications. Electrocatalytic nitrate reduction to ammonia (NO 3 RR) holds great …
industrial applications. Electrocatalytic nitrate reduction to ammonia (NO 3 RR) holds great …
Unveiling the underlying mechanism of nitrogen fixation by a new class of electrocatalysts two-dimensional TM@ g-C4N3 monosheets
X Wang, LM Yang - Applied Surface Science, 2022 - Elsevier
The potential of TM atoms embedded gC 4 N 3 as a new class of electrocatalysts (TM@ gC
4 N 3, TM= 3d, 4d and 5d transition metal) towards nitrogen reduction reaction (NRR) were …
4 N 3, TM= 3d, 4d and 5d transition metal) towards nitrogen reduction reaction (NRR) were …
The rational design of single-atom catalysts for electrochemical ammonia synthesis via a descriptor-based approach
Single-atom catalysts (SACs) have been widely studied in electrocatalysis towards
renewable energy conversion. Herein, we present a general descriptor-based strategy for …
renewable energy conversion. Herein, we present a general descriptor-based strategy for …
Computational screening of a single transition metal atom supported on the C 2 N monolayer for electrochemical ammonia synthesis
Z Wang, Z Yu, J Zhao - Physical Chemistry Chemical Physics, 2018 - pubs.rsc.org
The nitrogen reduction reaction (NRR) under ambient conditions using renewable energy is
a green and sustainable strategy for the synthesis of NH3, which is one of the most important …
a green and sustainable strategy for the synthesis of NH3, which is one of the most important …
High-loading intrinsic active sites for ammonia synthesis using efficient single-atom catalyst: 2D tungsten-porphyrin sheet
Single-atom catalysts (SACs) with active sites of transition metal-nitrogen (TMN x) centers
are efficient for the electrochemical nitrogen reduction reaction (NRR), a sustainable …
are efficient for the electrochemical nitrogen reduction reaction (NRR), a sustainable …