Add to ORKGThe nitrogen-to-ammonia conversion is one of the most important and challenging processes in chemistry. We have employed spin-polarized density functional theory to propose Fe-doped monolayer phosphorene (Fe-P) as a new catalyst for the N2reduction reaction at room temperature. Our results show that single-atom Fe is the active site, cooperating with P to activate the inert N-N triple bond and reduce N2to NH3via three reliable pathways. Our findings provide a new avenue for single atom catalytic nitrogen fixation under ambient conditions
It is highly attractive but challenging to develop earth-abundant electrocatalysts for nitrogen (N 2...
The discovery of metals as catalytic centers for nitrogen reduction reactions has stimulated great e...
Biological N_2 fixation to NH_3 may proceed at one or more Fe sites in the active-site cofactors of ...
The catalytic synthesis of NH3 from the thermodynamically challenging N2 reduction reaction under mi...
The fixation of atmospheric N2 to NH3 provides all of the biotic nitrogen on Earth, and is therefore...
In part as an effort to probe the viability of a single iron site hypothesis for the binding and con...
Substrate selectivity in reductive multi-electron/proton catalysis with small molecules such as N_2,...
The electrocatalytic nitrogen reduction reaction (NRR) is a promising strategy to generate NH3 in mi...
The conversion of molecular nitrogen to ammonia is a key biological and chemical process and represe...
Threefold symmetric Fe phosphine complexes have been used to model the structural and functional asp...
notrogenase is the only enzyme known to catalyze the reduction of N2 to 2NH3. In vivo, the MoFe prot...
This report details research into the mechanism and operating principles underlying the nitrogen fix...
Large-scale ammonia synthesis under ambient environment is a highly demanding technology which is pr...
While recent spectroscopic studies have established the presence of an interstitial carbon atom at t...
The reduction of nitrogen (N_2) to ammonia (NH_3) is a requisite transformation for life. Although i...
It is highly attractive but challenging to develop earth-abundant electrocatalysts for nitrogen (N 2...
The discovery of metals as catalytic centers for nitrogen reduction reactions has stimulated great e...
Biological N_2 fixation to NH_3 may proceed at one or more Fe sites in the active-site cofactors of ...
The catalytic synthesis of NH3 from the thermodynamically challenging N2 reduction reaction under mi...
The fixation of atmospheric N2 to NH3 provides all of the biotic nitrogen on Earth, and is therefore...
In part as an effort to probe the viability of a single iron site hypothesis for the binding and con...
Substrate selectivity in reductive multi-electron/proton catalysis with small molecules such as N_2,...
The electrocatalytic nitrogen reduction reaction (NRR) is a promising strategy to generate NH3 in mi...
The conversion of molecular nitrogen to ammonia is a key biological and chemical process and represe...
Threefold symmetric Fe phosphine complexes have been used to model the structural and functional asp...
notrogenase is the only enzyme known to catalyze the reduction of N2 to 2NH3. In vivo, the MoFe prot...
This report details research into the mechanism and operating principles underlying the nitrogen fix...
Large-scale ammonia synthesis under ambient environment is a highly demanding technology which is pr...
While recent spectroscopic studies have established the presence of an interstitial carbon atom at t...
The reduction of nitrogen (N_2) to ammonia (NH_3) is a requisite transformation for life. Although i...
It is highly attractive but challenging to develop earth-abundant electrocatalysts for nitrogen (N 2...
The discovery of metals as catalytic centers for nitrogen reduction reactions has stimulated great e...
Biological N_2 fixation to NH_3 may proceed at one or more Fe sites in the active-site cofactors of ...