These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Search MEDLINE/PubMed

  • Title: A single boron atom doped boron nitride edge as a metal-free catalyst for N2 fixation.
    Author: Mao X, Zhou S, Yan C, Zhu Z, Du A.
    Journal: Phys Chem Chem Phys; 2019 Jan 21; 21(3):1110-1116. PubMed ID: 30601494.
    Abstract:
    N2 fixation is one of the most challenging tasks in chemistry. Recently, tremendous efforts have been devoted to transition metal-based materials. However, metal-free catalysts for N2 conversion have been rarely explored. Here, by using density functional theory, we predict, for the first time that a single B-atom decorated BN edge (B@BN) can act as a metal-free catalyst for the conversion of an N2 molecule to NH3 under ambient conditions. N2 fixation on the B@BN edge exhibits an extremely low overpotential of only 0.13 V through a distal mechanism. Moreover, fast removal of the produced NH3 molecule is observed with an uphill Gibbs free energy change of only 0.35 V, which is lower than those of ever-reported electrocatalysts such as Mo-doped BN and 2D Mxene. Our findings highlight a novel single atom metal-free catalyst for N2 fixation, providing a cost-efficient process for sustainable NH3 production.
    [Abstract] [Full Text] [Related] [New Search]