CO₂-to-ethanol conversion is achieved using a superhydrophobic Cu₂O hollow structure (O–CHS) by continuous CO₂ transport, which maintains a high CO₂ concentration on the catalyst surface and further lowers the energy barrier for C–C coupling.

Fe-embedded N-doped graphene (Fe–N–C) stands out as a promising electrocatalyst for the oxygen reduction reaction (ORR), a critical process in fuel cell technologies. The role of spin multiplicity at the Fe center and its influence on ORR intermediates, particularly the spin crossover effect, is a pivotal yet underexplored aspect of spin-related electrocatalysis. Unraveling the nuances of spin multiplicity and its manipulation holds the key to the next generation of Fe-based spin electrocatalysts for renewable energy. Our study employs a first-principles density functional theory (DFT) approach to dissect the electronic configurations across various spin states of ORR intermediates. Our wavefunction and bond analysis unveil a critical mechanism: the spin electron transfer from the nonbonding d_x2–y2 orbital to the antibonding orbital, which dominantly dictates the spin state transition in ORR intermediates on the Fe–N–C catalyst. This insight is further complemented by the discovery that the electronic occupation of d–p π bonds, formed by X–Fe–Y (X/Y: *OH, *O, and *OOH), is insensitive to the IS–HS transition of adsorbates. Another novel finding of this research is the strain-induced modulation of spin states within Fe–N–C. We demonstrate that increasing strain drives a transition from an intermediate spin (IS) to a high spin (HS) state in FeN₄ and its ORR intermediates, effectively suppressing ligand-induced spin crossover. Notably, a unique behavior is observed in five-coordinate FeN₄OH and FeN₄OOH, where strain prompts a return to IS due to electron injection into the d_xy orbital. Our simulation of polarization current density reveals a direct correlation between applied strain and ORR onset potential. Specifically, at +8% strain, the onset potential is remarkably enhanced to 0.98 V vs. SHE due to the dominant active moiety of FeN^HS ₄*OH, underscoring the role of spin state modulation in weakening the Fe–O bond and reducing the desorption energy of *OH. This work not only elucidates the origin of spin multiplicity in ORR intermediates on Fe–N–C but also establishes strain-controlled spin regulation as a viable strategy for tuning ORR activity. Our findings offer a significant insight into the design of spin-related electrocatalysts, paving the way for more efficient and sustainable energy technologies.

An ideal 2D ferromagnetism is formed in the Ni nano-islands/graphene hybrid via graphene-mediated ferromagnetic coupling.

It is well known that zero‐gap character of graphene and silicene limits their applications, which stimulates the great passions to open an energy gap in graphene (silicene) and develop their application in optoelectronic devices. Recently, it is reported that Si_xC_{1 − x} monolayers hold great potential in solar cells. In this paper, based on the global particle‐swarm optimization algorithm and the density functional theory methods, two new novel stable SiC₇ (α‐SiC₇ and β‐SiC₇) was predicted, which are 22 meV per atom and 86 meV per atom lower than g‐SiC₇ in energy, respectively. Among them, β‐SiC₇ presents graphene‐like honeycomb configuration, having a direct band gap of 1.01 eV, which covers the main energy of the solar spectrum. Moreover, its hole mobility can reach ≈10 000 cm² V⁻¹ s⁻¹, which is much higher than that of silicon. These advantages make it a promising candidate as a donor material for excitonic solar cells. The authors’ theoretical simulations show a considerably high power conversion efficiency of 20.5% for the primarily designed β‐SiC₇/g‐SiC₇ excitonic solar cells.

Wrinkles are observed commonly in CVD (chemical vapor deposition)-grown graphene on Cu and hydrogen etching is of significant interest to understand the growth details, as well as a practical tool for fabricating functional graphene nanostructures. Here, we demonstrate a special hydrogen etching phenomenon of wrinkled graphene domains. We investigated the wrinkling of graphene domains under fast cooling conditions and the results indicated that wrinkles in the monolayer area formed more easily compared to the multilayer area (≥two layers), and the boundary of the multilayer area tended to be a high density wrinkle zone in those graphene domains, with a small portion of multilayer area in the center. Due to the site-selective adsorption of atomic hydrogen on wrinkled regions, the boundary of the multilayer area became a new initial point for the etching process, aside from the domain edge and random defect sites, as reported before, leading to the separation of the monolayer and multilayer area over time. A schematic model was drawn to illustrate how the etching of wrinkled graphene was generated and propagated. This work may provide valuable guidance for the design and growth of nanostructures based on wrinkled graphene.