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Electronic structure modeling of metal–organic frameworks
Owing to their molecular building blocks, yet highly crystalline nature, metal–organic
frameworks (MOFs) sit at the interface between molecule and material. Their diverse …
frameworks (MOFs) sit at the interface between molecule and material. Their diverse …
Gate-Controlled Magnetic Phase Transition in a van der Waals Magnet Fe5GeTe2
C Tan, WQ ** hydrogen storage
devices to address the energy crisis and climate change. Because of this, investigations are …
devices to address the energy crisis and climate change. Because of this, investigations are …
Unveiling Oxygen Redox Activity in P2-Type NaxNi0.25Mn0.68O2 High-Energy Cathode for Na-Ion Batteries
Na-ion batteries are emerging as convenient energy-storage devices for large-scale
applications. Enhanced energy density and cycling stability are key in the optimization of …
applications. Enhanced energy density and cycling stability are key in the optimization of …
First-principles investigation of structural, electronic, optical, and magnetic properties of a scintillating double perovskite halides (Cs2LiCeX6) with (X= F, Br, and I)
In this study, several physical properties (structural, electronic, magnetic, and optical) of a
scintillating double perovskite halide Cs 2 LiCeX 6 (X= F, Br, and I) are investigated using …
scintillating double perovskite halide Cs 2 LiCeX 6 (X= F, Br, and I) are investigated using …
Polymer modification of surface electronic properties of electrocatalysts
Finding alternative ways to tailor the electronic properties of a catalyst to actively and
selectively drive reactions of interest has been a growing research topic in the field of …
selectively drive reactions of interest has been a growing research topic in the field of …
Structural Evolution of Air-Exposed Layered Oxide Cathodes for Sodium-Ion Batteries: An Example of Ni-doped NaxMnO2
Sodium-ion batteries have recently aroused the interest of industries as possible
replacements for lithium-ion batteries in some areas. With their high theoretical capacities …
replacements for lithium-ion batteries in some areas. With their high theoretical capacities …