Quantum anomalous Hall effect in a two-dimensional ferromagnetic NpF monolayer with high Curie temperature [0.03%]
具有高居里温度的二维铁磁性NpF单层中的量子反常霍尔效应
Yuqing Mao,Jie Li,Xiaokang Xu et al.
Yuqing Mao et al.
The quantum anomalous Hall (QAH) effect remains a hot topic due to its potential applications in quantum computing and low-energy electronics. Here, based on first-principles calculations and symmetry analysis, we present a new type of two-...
Libration of hydroxyl groups in layered aluminum (oxy)hydroxides and other material analogs: insights from inelastic neutron scattering and theory [0.03%]
层状铝（氧）氢氧化物和其他材料类似物中羟基的离域化：来自非弹性中子散射和理论的见解
Hsiu-Wen Wang,Micah P Prange,Trent R Graham et al.
Hsiu-Wen Wang et al.
We analyzed the hydroxyl librational signatures of five structurally related aluminum (oxy)hydroxides, using inelastic neutron scattering (INS) and plane-wave lattice dynamics simulations. A clear trend across these aluminum-containing phas...
Correlation between information entropy and pore connectivity in oxidic materials with random disordered porosity [0.03%]
随机无序多孔氧化物材料中信息熵与孔隙连通性的相关性研究
Antigoni G Margellou,Gerasimos S Armatas,Konstantina Kolonia et al.
Antigoni G Margellou et al.
Pore connectivity is a crucial structural characteristic of porous solids that governs the mass transfer and diffusion of fluids through them. Information entropy, on the other hand, is a statistical property that can be estimated for any d...
Brijesh Kumar Mishra,Kaustav Mehta,Shreya Chidambaram et al.
Brijesh Kumar Mishra et al.
Encapsulating molecules in nanocages such as C60 provides a unique opportunity to probe how spatial confinement alters structure and dynamics. We examine umbrella inversion in hydronium (OH3+) and phosphine (PH3) in the gas phase and inside...
Tip-induced electronic polarization at the atomic scale: a mechanistic framework for enhanced water dissociation [0.03%]
基于原子尺度的尖端诱导电子极化增强水分解的机制框架研究
Yanbiao Wang,Wenbin Qiu,Chaoyi Qian et al.
Yanbiao Wang et al.
Tip effects exhibit unique advantages in a variety of application scenarios covering both civilian and cutting-edge fields. However, the further development of conventional tip-based structures is intrinsically limited by the complex thermo...
Elementary Monte Carlo model of the anisotropic recrystallization and "anti-ripening" under intensive stirring and high supersaturations [0.03%]
各向异性的再结晶和"抗粗化"的简易墨卡托模型及在强烈搅拌和高过饱和度下的研究
Serhii Abakumov,Eugen Rabkin,Andriy Gusak
Serhii Abakumov
The production of fibrous oxides, particularly V2O5, by intensive stirring in water is examined through the framework of driven systems, an approach developed in the 1980s by Georges Martin et al. for systems under irradiation or severe pla...
Optimizing nitrogen dopants in carbon for effective and selective two-electron water oxidation to H2O2 [0.03%]
优化氮掺杂碳以实现有效且选择性的两电子水氧化制过氧化氢反应
Jiaxiang Qiu,Jinlong Wu,Zhongti Sun et al.
Jiaxiang Qiu et al.
Hydrogen peroxide (H2O2) is a sustainable oxidant with wide applications in energy and environmental technologies, yet its current anthraquinone-based synthesis is energy-intensive and environmentally hazardous. Electrochemical two-electron...
Hidden inner potential of electrolyte solutions and their application to ionic conductance and the Wien effect [0.03%]
电解质溶液的内在潜力及其在离子导电和维恩效应中的应用
Keisaku Kimura
Keisaku Kimura
The Poisson equation for the electrolytic solution was rigorously solved using a charge distribution model in a nanospace without using the linearized Poisson-Boltzmann approximation. The model is based on the dynamic behavior of the system...
Research advances in understanding the correlations between fluoroacidity and physicochemical properties of molten fluorides [0.03%]
熔盐体系中氟离子酸度及其与物性的关联研究进展
Yuanjia Ma,Xiaobin Fu,Miao Shen et al.
Yuanjia Ma et al.
Molten fluorides, recognized as a vital class of high-temperature functional materials, have attracted considerable interest in advanced nuclear energy systems and high-temperature metallurgical processes due to their outstanding thermal st...
Theoretical study on the analyzability of modified convex regression for radical reaction [0.03%]
改进凸回归的自由基反应可析性理论研究
Tomomi Shimazaki,Masanori Tachikawa
Tomomi Shimazaki
Analyzing data and extracting meaningful insights is essential across various research fields. To address acrylate and methacrylate radical reaction data, we propose a modified convex clustering (regression) method, in which representative ...