For example, the second *OH adsorbs on the adjacent C site, or on the reverse side of the catalyst48,55. As shown in Supplementary Fig.5aand Supplementary Tables52–55, virtually the entire DACs, the second *OH prefers to adsorb at the M–M site compared to the M–C site, which ci...
This dual-atom catalyst can drive CO2 reduction reaction at a potential as high as -0.25 V, and exhibit excellent CO Faradic efficiency up to 93.4 % with a current density of 11.87 mA cm at -0.7 V and long-term stability, far surpassing the single-atom Ag1/graphene and the traditional ...
基于模型催化剂的精确分子结构和原位红外光谱、密度泛函理论(DFT)计算表明,Co双原子位点因其独特的双齿配位构型,有效地稳定了*OOH,破坏了ORR的标度关系,从而显著提高了ORR活性。 相关工作以《Well-Defined Co2 Dual-Atom Catalyst Breaks Scaling Relations of Oxygen Reduction Reaction》为题发表在最新一期《Journal of...
site form a water molecule through hydrogen transfer (S11 → S12 via TS6), and upon the desorption of water (S12 → S13), the catalyst restores. It may be worth noting that the process from S10 to S13 could take place more easily than what the energy profile reflects, since ...
Scalable two-step annealing method for preparing ultra-high-density single-atom catalyst libraries. Nat. Nanotechnol. 17, 174–181 (2022). Article ADS CAS PubMed Google Scholar Zeng, Y. et al. Tuning the thermal activation atmosphere breaks the activity–stability trade-off of Fe–N–C ...
Catalyst preparation We employ a modular assembly approach published in our earlier work over metal-organic frameworks.5 As shown in Scheme 1, the preparation of ZnA-CuB-Z is here used as an illustration; by ion exchange with Zn(NO3)2·6H2O (Sigma-Aldrich; 98%), mononuclear ZnA-Z has be...
Herein, this review summarizes the latest progress in microenvironment engineering of single/dual‐atom active sites via a comprehensive comparison of single‐atom catalyst (SACs) and dual‐atom catalysts (DACs) in term of design principles, modulation strategy, and theoretical understanding of structure...
The in situ infrared Fourier transform spectroscopy analysis confirmed there is no competitive adsorption between NOx and H2O over the Ce-Ti/MnO2 catalyst. The calculation results showed that the synergistic interaction of the neighboring Ce-Ti dual atoms as sacrificial sites weakens the ability of ...
NO can be effectively activated and reduced by the dual-atom catalyst in which Fe and Mo atoms serve as active sites.Systematic research on a variety of NO adsorption structures and corresponding active degrees.Parallel adsorption mode is the most favorable adsorption type for NO-to-NH3conversion ...
Fig. 1: Catalyst performances. aCatalyst activity for PLA degradation.bRegeneration stability of Ru4Mo1/TiO2.cHydrogenation of various ester samples. Reaction conditions:aPLA, 72 mg; catalyst, 10 mg; H2O, 0.5 mL; H2, 4 MPa; 160 °C, 12 h.bSolvent-free, 180 °C.cSub...