In this work, using the high-throughput density functional theory calculation method, the influence of 36 alloying elements on the elastic properties of FCC-Cu was systematically studied, and based on the Labusch model, a linear relationship was fitted between the composition and lattice parameters, and the shear modulus. The solid solution strengthening behavior brought about by alloying was studied quantitatively. The results showed that most alloying elements have solid solution potentiality in copper. The change in the elastic modulus and the strengthening effect of alloying on solid solutions were determined by the elements’ positions in the periodic table. In the same period, the alloying elements located in the middle of the period tended to enhance the elastic modulus of copper, while the elements located at both ends have greater solid solution strengthening ability. The predicted results are in good agreement with the experimental values, which provide theoretical guidance for the design of high-performance copper alloys.
Herein, we report a nickel cobalt pentlandite/black phosphorus (Ni–Co9S8/BP) heterostructure as a bifunctional electrocatalyst, i.e., Ni doped Co9S8 vertically grown on the surface of black phosphorus. The nanoporous network heterostructure and surface sulfur vacancies endow Ni–Co9S8/BP with more active sites and accelerated reaction kinetics, thus realizing a low potential of 1.65 V at 10 mA cm−2 for water splitting, which outperforms most Co9S8-based electrocatalysts.
11 February 2025 in Journal of Materials Chemistry C
The Se-doping strategy optimizes the electronic structure of α-Fe2O3, thus enhancing the surface Lewis basicity. The Se–Fe2O3 based sensor demonstrates highly sensitive and selective NO2 sensing performance.
The urea electro-oxidation reaction (UOR) is emerging as a new energy conversion technology and a promising method for alleviating water eutrophication problems. However, a rationally designed structure of the electrode materials is urgently required to achieve high UOR performance. Herein, P-doped MOF-derived Co3O4 nanowire arrays grown on nickel foam (P-Co3O4/NF) are successfully synthesized via the growth of Co-MOF and subsequent calcination followed by phosphorization treatment. Owing to the optimized electronic structure, the as-prepared P-Co3O4/NF composite exhibits much higher UOR electrocatalytic performance than the undoped Co3O4/NF sample. Beyond this, the meticulous structure of the one-dimensional nanowire arrays and the three-dimensional skeleton structure of nickel foam contribute to the enhanced electrocatalytic activity and stability toward UOR. As a result, the P-Co3O4/NF composite displays a low overpotential of 1.419 V vs. RHE at 50 mA cm−2, a small Tafel slope of 82 mV dec−1, as well as favorable long-term stability over 65,000 s in 1.0 M KOH with 1.0 M urea. This work opens a new avenue in designing non-precious electrocatalysts for high-performance urea electro-oxidation reactions.
29 March 2026 in International Journal of Hydrogen Energy