Orbital-Selectivity-Induced Robust Quantum Anomalous Hall Effect in Hund's Metals MgFeP.

Ferromagnetic (FM) states with high Curie temperatures (Tc) and strong spin-orbit coupling (SOC) are indispensable for the long-sought room-temperature quantum anomalous Hall (QAH) effects. Here, we propose a two-dimensional (2D) iron-based monolayer MgFeP that exhibits a notably high FM Tc (about 1525 K) along with exceptional structural stabilities. The unique multiorbital nature in MgFeP, where localized dx2-y2 and dxz/yz orbitals coexist with itinerant dxy and dz2 orbitals, renders the monolayer a Hund's metal and in an orbital-selective Mott phase (OSMP). This OSMP triggers an FM double exchange mechanism, rationalizing the high Tc in the Hund's metal. This material transitions to a QAH insulator upon consideration of the SOC effect. By leveraging orbital selectivity, the QAH band gap can be enlarged by more than two times (to 137 meV). Our findings showcase Hund's metals as a promising material platform for realizing high-performance quantum topological electronic devices.

A new type of stable borophene with flat-band-induced magnetism.

Based on first-principles calculations, we propose a new type of thermally and dynamically stable magnetic borophene (B11) with a tetragonal lattice. The magnetism is found coming from spin polarization of one bonding flat band located at the Fermi level. Despite of the 'anti-molecular' behavior in the monolayer, the interactions between thepzorbitals of the B atoms in the double-octahedron structural unit lead to the formation of the flat bands with localization behaviors. One tight binding model is built to comprehend the magnetic mechanism, which can guide us to tune other nonmagnetic borophene becoming magnetic. Biaxial tensile strain (>2.1%) is found triggering a phase transition from a semimetal to a semiconductor in the B11monolayer. The mechanism is analyzed based on the orbital-resolved crystal field effect. Our work provides a new route for designing and achieving two-dimensional magnetic materials with light elements.

Comparison of fluorine removal performance and mechanism of spheroidal magnesium oxide before and after lanthanum modification.

Firstly, spherical magnesium oxide was synthesized by simple magnesium salt and specific reaction conditions. Then, lanthanum-modified spherical magnesium oxide (LSMO) was prepared by impregnation of lanthanum salt. The adsorption mechanism of the adsorbent was investigated by XRD, SEM, XPS, and FT-IR. Through the study of fluorine removal performance, for the solution with fluoride ion concentration of 10 mg·L-1, the fluorine removal efficiency of lanthanum-modified spherical magnesium oxide (15LSMO) (93.1%) with 15% impregnation mass ratio is higher than that of SMO (82.7%). In addition, in the pH range of 2-11 or in the presence of interfering ions, the fluoride removal effect of 15LSMO still meets the fluoride removal efficiency of more than 90%. The research enhanced the profound insights into the effect and mechanism of fluorine removal of lanthanum modified materials.

A MXene-based multiple catalyst for highly efficient photocatalytic removal of nitrate.

Photocatalytic removal of nitrate in wastewater has attracted wide attention because of its simple operation and environmental protection. However, the preparation of photocatalysts with high efficiency and high nitrogen selectivity is still a challenge. In this paper, TiO2 is grown in situ on Ti3C2 MXene by a simple calcination method and modified with silver particles. The presence of Ti3C2 reduces the recombination rate of photogenerated electrons and generates more photogenerated electrons. At the same time, the silver particles also increase the photoelectron density and further improve the carrier separation of the catalyst. Due to its unique structure and optical properties, the prepared photocatalyst shows an excellent nitrate removal rate under a high-pressure mercury lamp. At 500 mgN/L, the nitrate removal rate reaches 96.1%, and the nitrogen selectivity reaches 92.6%. Even after 5 cycles, the prepared photocatalyst still maintains a high nitrate photocatalytic removal efficiency (89%). The electron transfer path is verified by density functional theory calculations.

Bis[2-meth-oxy-6-(3-pyridylmethyl-imino-meth-yl)phenolato-κN,O]copper(II).

In the title complex, [Cu(C(14)H(13)N(2)O(2))(2)], the Cu(II) ion is located on a crystallographic inversion center. The complex thus adopts a square-planar trans-[CuN(2)O(2)] coordination geometry, with the Cu(II) ion coordinated by two 2-meth-oxy-6-(3-pyridylmethyl-imino-meth-yl)phenolate (Schiff base) ligands. The aryl and pyridyl rings in the Schiff base are almost perpendicular to each other, with a dihedral angle of 87.61 (6)° between the planes of the two six-membered rings. The pyridyl ring was refined using a disorder model with approximately 70% occupancy for the major component.