Forming heterostructures is a well-established technique to utilize different constituent materials to achieve novel properties like efficient light emission and high-quality electron tunneling. Recent experiments have successfully synthesized one-dimensional van der Waals heterostructures and have discovered plenty of superior properties benefiting from the dimension reduction. Inspired by the success of the van der Waals counterparts, we propose a one-dimensional lateral heterostructure based on transition metal dichalcogenide nanotubes. Molecular simulations show that the misfit strain is restricted to the radial direction due to the one-dimensional tubular confined structure, and the regular exponential distribution of the radial misfit strain can be well interpreted by a mechanics model. Besides the normal exponential distribution, there also exists an abnormal strain distribution within a narrow domain nearby the interface, in which the structure of the larger lattice constant is stretched instead of compressed by the misfit strain. The abnormal misfit strain is due to the interplay between several bending interactions and the stretching interaction. Possible experiments to synthesize this new type of heterostructure are discussed based on current experimental techniques.
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http://dx.doi.org/10.1039/d1cp04850c | DOI Listing |
Phys Chem Chem Phys
January 2025
CONICET-UNR, Laboratorio de Materiales (LEIM), Escuela de Ingeniería Eléctrica, Centro de Tecnología e Investigación Eléctrica (CETIE), Facultad de Ciencias Exactas, Ingeniería y Agrimensura, Avda. Pellegrini 250, 2000 Rosario, Argentina.
The influence on the mobility of polypeptide chains caused by strain misfit due to molecular electric dipole distortions under applied electric fields up to 769 kV m, in cow cortical femur samples annealed at 373 K, 423 K, and 530 K, is determined. The behaviour of strain misfit as a function of the electric field strength is determined from a mean-field model based on the Eshelby theory. In addition, Friedel's model for describing the mobility of dislocations in continuum media has been modified to determine the interaction energy between electrically generated obstacles and the polypeptide chains.
View Article and Find Full Text PDFiScience
January 2025
School of Civil Engineering and Architecture, Zhejiang University of Science & Technology, Hangzhou, P.R. China.
A possibility of unprecedented architecture may be opened up by combining both vertical and in-plane heterostructures. It is fascinating to discover that the interlayer stress transfer, interlayer binding energy, and interlayer shear stress of bi-layer Gr/hBN with CNTs heterostructures greatly increase (more than 2 times) with increase the numbers of CNTs and both saturate at the numbers of CNTs = 3, but it causes only 10.92% decrease in failure strain.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Institute of Hydrogen Technology, Helmholtz-Zentrum Hereon, Geesthacht, Germany.
Coherent phase transformations in interstitial solid solutions or intercalation compounds with a miscibility gap are of practical relevance for energy storage materials and specifically for metal hydride or lithium-ion compound nanoparticles. Different conclusions on the size-dependence of the transformation conditions are reached by modeling or theory focusing on the impact of either one (internal, solid-state-) critical-point wetting of the nanoparticle surface or coherency constraints from solute-saturated surface layers. We report a hybrid numerical approach, combining atomistic grand canonical Monte Carlo simulation with a continuum mechanics analysis of coherency stress and modeling simultaneously wetting and mechanical constraints.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
College of Engineering and Applied Sciences, Jiangsu Key Laboratory of Artificial Functional Materials, National Laboratory of Solid State Microstructures, Collaborative Innovation Centre of Advanced Microstructures, Nanjing University, Nanjing 210093, P. R. China.
The rapid advancements in 3C electronic devices necessitate an increase in the charge cutoff voltage of LiCoO to unlock a higher energy density that surpasses the currently available levels. However, the structural devastation and electrochemical decay of LiCoO are significantly exacerbated, particularly at ≥4.5 V, due to the stress concentration caused by more severe lattice expansion and shrinkage, coupled with heterogeneous Li intercalation/deintercalation reactions.
View Article and Find Full Text PDFNanotechnology
December 2024
School of Physics, Aristotle University of Thessaloniki, 54124 Thessaloniki, Greece.
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