A novel two-dimensional (2D) carbon material composed of decagonal pores, and hexagonal and quadrilateral carbon rings (DHQ-graphene) is predicted by first-principles calculations. The results show that this metastable phase material displays anisotropic mechanical properties, and its in-plane Young's modulus is comparable with that of penta-graphene. DHQ-graphene is a metallic carbon material with a much higher electronic density of states of around 0.193 eV per states per atom. Equally importantly, it is also found that the most favorable adsorption site is the bridge site in the edge shared by the six- and ten-membered rings of DHQ-graphene, which has a stronger adsorption energy for oxygen (−0.27 eV) with dispersion correction (DFT-D3). The charge transfer from a DHQ-graphene sheet to an O atom amounts to 0.834|e|, 3.35% higher than that of perfect graphene. This implies that DHQ-graphene should have a good ability to adsorb oxygen with an easily controlled adsorption structure. Interestingly, it may conceivably be synthesized by a bottom-up approach from the carbon skeleton of naphthalene (C₁₀H₈). In addition, a 3D stacked structure of this material has also been investigated. This work provides a novel strategy for constructing a corrosion-resistant material by designing a 2D structure based on high-order carbon rings.

A thermal evaporation–trapping strategy is developed to fabricate a flexible N-doped carbon fiber cloth loaded with both CoFe-oxide nanoparticles and atomic Co/Fe–N_x sites, showing outstanding oxygen electrocatalytic performance.

Na charge transfers to Kust-I with a nanometer pore size of 0.45 nm and the transfer value was quantified as 0.723 | e |, and this can explain why Kust-I displays a satisfactory desalination efficacy of nearly 100%.

Titanium alloys have become the material of choice for marine parts manufacturing due to their high specific strength and excellent resistance to seawater corrosion. However, it is still challenging for a single titanium alloy to meet the comprehensive specifications of a structural component. In this study, we have applied a molecular dynamics approach to simulate the aging phase transformation, K-TIG welding process, and mechanical properties of the TC4-TA17 (Ti6Al4V-Ti4Al2V) alloy. The results show that during the aging phase transformation process, changes in the structure of the titanium alloys are mainly manifested in the precipitation of a new phase from the sub-stable β-phase, and after the state stabilization, the α-phase content reaches 45%. Moreover, during the melting and diffusion process of TC4-TA17, aluminum atoms near the interface diffuse, followed by titanium atoms, while relatively few vanadium atoms are involved in the diffusion. Finally, the results of tensile simulations of the TC4-TA17 alloy after welding showed that stress values can reach up to 9.07 GPa and that the mechanical properties of the alloy in the weld zone are better than those of the single alloys under the same conditions. This study will provide theoretical support for the optimization of process parameters for TC4-TA17 alloy welding.