Low‐dimensional halide perovskite thin films, (BA)2(MA)n‐1PbnBr3n+1 (n = 1, 2), exhibit both semiconducting and ferroelectric properties, enabling mechanical and light energy harvesting. Using Cr/Cr₂O₃ or PCBM as barrier layers ensures reproducible ferroelectricity.
Raja Sekhar Muddam+8 more
wiley +1 more source
Molecular dynamics simulations of a fully hydrated dipalmitoylphosphatidylcholine bilayer with different macroscopic boundary conditions and parameters [PDF]
D. Peter Tieleman+1 more
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Molecular Dynamics Simulation of Interfacial Effects in PBT-Based Azide Propellants Under Tensile Deformation. [PDF]
Liao H+5 more
europepmc +1 more source
This study introduces a paper‐based biodegradable, humidity‐insensitive e‐nose for real‐time breath analysis, addressing challenges in existing technologies such as humidity interference, high costs, and environmental impact. Featuring hydrophobic polymer coatings, these sensors reliably detect VOCs even in high‐moisture environments.
Indrajit Mondal+2 more
wiley +1 more source
Molecular dynamics simulation of structural anisotropy in glassy metals
Toshiro Tomida, T. Egami
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Fluctuation and Cross-correlation Analysis of Protein Motions Observed in Nanosecond Molecular Dynamics Simulations [PDF]
Philippe H. Hünenberger+2 more
openalex +1 more source
Mechanism of astragaloside A against lung adenocarcinoma based on network pharmacology combined with molecular dynamics simulation technique. [PDF]
Ding J+10 more
europepmc +1 more source
Sono‐Piezo‐Photosynthesis of Ethylene and Acetylene from Bioethanol under Ambient Conditions
A novel sono‐piezo‐photocatalytic strategy enables the conversion of bioethanol to ethylene (C2H4) and acetylene (C2H2) under ambient conditions, addressing the limitations of conventional methods that are high‐temperature and energy‐intensive. By using an advanced graphene oxide/sodium bismuth titanate heterostructure catalyst, this work achieved ...
Yue Jiang+21 more
wiley +1 more source
Molecular dynamics simulation of calcium carbonate nano filled PLA/PPC composites: interfacial properties and water vapor barrier. [PDF]
Ding Y, Xin Y.
europepmc +1 more source
H2O2‐Generating Advanced Nanomaterials for Cancer Treatment
H2O2‐generating nanoplatforms can exploit tumor redox imbalance for O2 and toxic reactive oxygen species generation, leading to hypoxia reversal, and apoptosis of cancer cells, respectively. This review highlights the mechanisms of these nanoplatforms, including exogenous H₂O₂ delivery, endogenous amplification, and metal peroxides, which leads to ...
Kiyan Musaie+8 more
wiley +1 more source