Naigen Zhou
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View article: Magnetic flower-like Bi5O7I/CuFe2O4 photocatalyst for doxycycline degradation: Combined experimental, density functional theory and antibacterial study
Magnetic flower-like Bi5O7I/CuFe2O4 photocatalyst for doxycycline degradation: Combined experimental, density functional theory and antibacterial study Open
Photocatalytic technology has garnered significant attention due to its environmentally friendly nature and effective degradation capabilities. However, the absence of photocatalytic materials that possessed high removal efficiency, facile…
View article: Crystal Facet Engineering of BiOCl Fillers in Solid Polymer Electrolytes
Crystal Facet Engineering of BiOCl Fillers in Solid Polymer Electrolytes Open
Solid polymer electrolytes (SPEs) have attracted much attention due to their high flexibility and good interfacial contact with electrodes. Incorporating appropriate inorganic fillers into the polymer matrix is a normal and effective metho…
View article: Weakly Solvating Electrolytes for Lithium and Post‐Lithium Rechargeable Batteries: Progress and Outlook
Weakly Solvating Electrolytes for Lithium and Post‐Lithium Rechargeable Batteries: Progress and Outlook Open
In the rapidly evolving global landscape of renewable energy sources, there is an increasing demand for high‐energy‐density rechargeable batteries essential for energy storage. Simultaneously, there is a growing emphasis on developing high…
View article: Fluorinated electrolyte formulations design enabling high-voltage and long-life lithium metal batteries
Fluorinated electrolyte formulations design enabling high-voltage and long-life lithium metal batteries Open
The poor compatibility of carbonate-based electrolytes with lithium metal anodes results in unstable solid electrolyte interphase, leading to lithium dendrite formation, low Coulombic efficiency, and short cycle life. To address this issue…
View article: Si@Fe3O4/AC composite with interconnected carbon nano-ribbons network for high-performance lithium-ion battery anodes
Si@Fe3O4/AC composite with interconnected carbon nano-ribbons network for high-performance lithium-ion battery anodes Open
Si-based anode materials have a relatively high theoretical specific capacity and low operating voltage, greatly enhancing the energy density of rechargeable lithium-ion batteries (LIBs). However, their practical application is seriously h…
View article: Adaptive Multi‐Site Gradient Adsorption of Siloxane‐Based Protective Layers Enable High Performance Lithium‐Metal Batteries
Adaptive Multi‐Site Gradient Adsorption of Siloxane‐Based Protective Layers Enable High Performance Lithium‐Metal Batteries Open
Low Coulombic efficiency and significant capacity decay resulting from an unstable solid electrolyte interphase (SEI) and dendritic growth pose challenges to the practical application of lithium‐metal batteries. In this study, a highly eff…
View article: Unveiling the amorphization of sodalite topology zeolitic imidazolate frameworks and zeolites by pressure and stress
Unveiling the amorphization of sodalite topology zeolitic imidazolate frameworks and zeolites by pressure and stress Open
As a flexible porous material, the amorphous behavior of zeolitic imidazolate framework‐8 (ZIF‐8) has garnered considerable interest. However, the association between its strain behavior and topology has not yet been exhaustively studied c…
View article: Effect of Cooling Rate During Thermal Processes on the Electrical Properties of Cast Multi-Crystalline Silicon
Effect of Cooling Rate During Thermal Processes on the Electrical Properties of Cast Multi-Crystalline Silicon Open
Photoluminescence（PL）imaging techniques and the minority carrier lifetime test system were employed to investigate the variation of the interstitial iron (Fe i ) concentration, the recombination activity of structural defects and the minor…
View article: Atomic simulation of Si<sub><i>y</i></sub>H<sub><i>x</i></sub> structure configuration in a-Si:H thin films
Atomic simulation of Si<sub><i>y</i></sub>H<sub><i>x</i></sub> structure configuration in a-Si:H thin films Open
The hydrogenated amorphous silicon (a-Si:H) film is the core structure of hetero junction with intrinsic thin layer solar cell. Its quality determinates the photoelectric conversion efficiency of this solar cell directly. The configuration…
View article: Atomic insights in crystallization of liquid Cu on single crystal Ta and amorphous Ta
Atomic insights in crystallization of liquid Cu on single crystal Ta and amorphous Ta Open
The crystallization processes of liquid Cu on single crystal Ta and amorphous Ta under different undercoolings were investigated with molecular dynamics simulation. As the undercooling is not greater than 350 K, only heteronucleation proce…
View article: Frontispiece: Insights into the Electrocatalytic Hydrogen Evolution Reaction Mechanism on Two‐Dimensional Transition‐Metal Carbonitrides (MXene)
Frontispiece: Insights into the Electrocatalytic Hydrogen Evolution Reaction Mechanism on Two‐Dimensional Transition‐Metal Carbonitrides (MXene) Open
Developing highly active, non-noble-metal H2-evolution catalysts is appealing yet still remains a great challenge. In this work, high quality transition-metal carbonitrides M3CN (MXene) are investigated using well-defined density functiona…
View article: Formation of Dislocations in the Growth of Silicon along Different Crystallographic Directions—A Molecular Dynamics Study
Formation of Dislocations in the Growth of Silicon along Different Crystallographic Directions—A Molecular Dynamics Study Open
Molecular dynamics simulations of the seeded solidification of silicon along , , and directions have been carried out. The Tersoff potential is adopted for computing atomic interaction. The control of uniaxial strains in the seed crystal…
View article: Effect of incident kinetic energy on a-Si:H structure: A molecular dynamics simulation study
Effect of incident kinetic energy on a-Si:H structure: A molecular dynamics simulation study Open
This paper utilized molecular dynamics simulation to investigate the influences of the incident kinetic energy on the structure of hydrogenated amorphous silicon (a-Si:H) thin films. The SiH3 radical impinged on the Si (001) surface with s…
View article: Frequency dispersion of flexoelectricity in PMN-PT single crystal
Frequency dispersion of flexoelectricity in PMN-PT single crystal Open
The mechanism of the recent discovered enhanced flexoelectricity in perovskites has brought about numerous controversies which still remain unclear. In this paper, we employed relaxor 0.68Pb(Mg2/3Nb1/3)O3 -0.32PbTiO3 (PMN-PT) single crysta…
View article: The Effects of Dislocations on the Crystal Growth Rate of Silicon --A Molecular Dynamics Study
The Effects of Dislocations on the Crystal Growth Rate of Silicon --A Molecular Dynamics Study Open
Based on the Tersoff potential, we have investigated the effects of dislocations on the crystal growth rate of Si (110) rough interface by a molecular dynamics simulation.The atomic structures show that, the (110) interface morphology with…