Enhanced Electron Delocalization Induced by Ferromagnetic Sulfur doped C3N4 Triggers Selective H2O2 Production

S Xu, Y Yu, X Zhang, D Xue, Y Wei… - Angewandte Chemie …, 2024 - Wiley Online Library
For the 2D metal‐free carbon catalysts, the atomic coplanar architecture enables a large
number of pz orbitals to overlap laterally, thus forming π‐electron delocalization, and the …

PVP-induced synergistic engineering of interlayer, self-doping, active surface and vacancies in VS4 for enhancing magnesium ions storage and durability

S Ding, X Dai, Z Li, C Wang, A Meng, L Wang… - Energy Storage …, 2022 - Elsevier
Magnesium ions batteries (MIBs) provide great potential for the safety and large-scale
energy storage, however, its inherent drawbacks, such as the sluggish kinetics, poor cycling …

Realization of a Half Metal with a Record‐High Curie Temperature in Perovskite Oxides

Z Liu, S Zhang, X Wang, X Ye, S Qin, X Shen… - Advanced …, 2022 - Wiley Online Library
Half metals, in which one spin channel is conducting while the other is insulating with an
energy gap, are theoretically considered to comprise 100% spin‐polarized conducting …

[HTML][HTML] Na3VAs2 monolayer: A two-dimensional intrinsic room-temperature ferromagnetic half-metal with large desired perpendicular magnetic anisotropy

J Su, Y Bai, P Shi, Y Tu, B Wang - Results in Physics, 2023 - Elsevier
Recent experiments have proved that the intrinsic two-dimensional (2D) magnetism has
aroused strong interest in the application of advanced spintronics. However, low Curie …

Recent progress in 2D bipolar magnetic semiconductors

J Chen, X Wang, Y An, SJ Gong - Journal of Physics: Condensed …, 2023 - iopscience.iop.org
Recent progress in 2D bipolar magnetic semiconductors Page 1 Journal of Physics: Condensed
Matter ACCEPTED MANUSCRIPT Recent progress in 2D bipolar magnetic semiconductors To …

Application of topological quantum chemistry in electrides

S Nie, Y Qian, J Gao, Z Fang, H Weng, Z Wang - Physical Review B, 2021 - APS
The recently developed theory of topological quantum chemistry (TQC) has built a close
connection between band representations in momentum space and orbital characters in real …

Theoretical Investigation of the Properties of Pd2Cu Intermetallics and CO2 Hydrogenation to Ethanol Catalyzed on Pd2Cu (110)

H Guo, TT Shi, JT Chen, ZX Chen - The Journal of Physical …, 2023 - ACS Publications
Intermetallics or ordered alloys are catalytically more advantageous than solid solution
alloys. The B 2 phase Pd2Cu intermetallics exhibit excellent catalytic properties for CO2 …

Ba with unusual oxidation states in Ba chalcogenides under pressure

F Li, X Zhang, Y Fu, Y Wang, A Bergara… - The Journal of Physical …, 2021 - ACS Publications
The preparation of compounds with novel atomic oxidation states and emergent properties
is of fundamental interest in chemistry. As s-block elements, alkali-earth metals invariably …

Two-Dimensional Asymmetric Multiferroics: Unique Way toward Strong Magnetoelectric Coupling and Multistate Memory

Z Yu, H Bai, B Li, L Li, H Pan - The Journal of Physical Chemistry …, 2024 - ACS Publications
Two-dimensional (2D) materials have provided a fascinating platform for exploring novel
multiferroics and emergent magnetoelectric coupling mechanisms. Here, a novel 2D …

Orbital design of two-dimensional transition-metal peroxide kagome crystals with anionogenic Dirac half-metallicity

D Wu, H Lv, Z Zhuo, X Li, X Wu… - The Journal of Physical …, 2021 - ACS Publications
Assembling p orbital ferromagnetic half-metallicity and a topological element, such as a
Dirac point at the Fermi level, in a single nanomaterial is of particular interest for long …