The interaction between particle-like sources of the nematic director distortions (e.g., colloids, point defects, macromolecules in nematic emulsions) allows for a useful analogy with the electrostatic multipole interaction between charged bodies. In this paper we develop this analogy to the level corresponding to the charge density and consider the general status of the pairwise approach to the nematic emulsions with finite-size colloids. It is shown that the elastic analog of the surface electric charge density is represented by the two transverse director components on the surface imposing the director distortions. The elastic multipoles of a particle are expressed as integrals over the charge density distribution on this surface. Because of the difference between the scalar electrostatics and vector nematostatics, the number of elastic multipoles of each order is doubled compared to that in the electrostatics: there are two elastic charges, two vectors of dipole moments, two quadrupolar tensors, and so on. The two-component elastic charge is expressed via the vector of external mechanical torque applied on the particle. As a result, the elastic Coulomb-like coupling between two particles is found to be proportional to the scalar product of the two external torques and does not directly depend on the particles' form and anchoring. The real-space Green function method is used to develop the pairwise approach to nematic emulsions and determine its form and restrictions. The pairwise potentials are obtained in the familiar form, but, in contrast to the electrostatics, they describe the interaction between pairs (dyads) of the elastic multipole moments. The multipole moments are shown to be uniquely determined by the single-particle director field, unperturbed by other particles. The pairwise approximation is applicable only in the leading order in the small ratio particle size-to-interparticle distance as the next order contains irreducible three-body terms.
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J Phys Chem A
January 2025
Department of Chemistry and Biochemistry, Shahrood Branch, Islamic Azad University, 36714 Shahrood, Iran.
This study investigates the nature and interplay of noncovalent interactions (NCIs)─tetrel bonds (TB), hydrogen bonds (HB), and halogen bonds (XB)─in molecular assemblies formed between trifluorogermyl hypochlorite (FGeOCl) and hydrogen cyanide (HCN). Using a combination of high-level computational methods, we explored the geometric, energetic, and electronic properties of dimers, trimers, and tetramers formed in different molar ratios of interacting reagents. Various analyses reveal a significant cooperativity between TB and HB, which mutually reinforce each other, while XB interactions are diminished in the presence of TB and HB.
View Article and Find Full Text PDFACS Appl Mater Interfaces
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Department of Chemistry, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016, India.
Hydrogen production via water-splitting or ammonia electrolysis using transition metal-based electrodes is one of the most cost-effective approaches. Herein, ca. 1-4% of Pt atoms are stuffed into a wolframite-type NiWO lattice to improve the electrocatalytic efficiency.
View Article and Find Full Text PDFAdv Sci (Weinh)
January 2025
School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing, Jiangsu, 210094, China.
After cyclo-pentazolate anion, a 5/6 fused structure of N is constructed, and four novel nitrogen-rich ionic compounds are assembled on its basis. The results of the quantum calculations revealed an uneven distribution of electrons on cyclo-N , with significant charge density near the N5/N9 atoms and an ADCH charge of -0.425.
View Article and Find Full Text PDFJ Phys Chem Lett
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Department of Mechanical and Aerospace Engineering, University of Virginia, Charlottesville, Virginia 22904, United States.
Vanadium oxide (VO) is an exotic phase-change material with diverse applications ranging from thermochromic smart windows to thermal sensors, neuromorphic computing, and tunable metasurfaces. Nonetheless, the mechanism responsible for its metal-insulator phase transition remains a subject of vigorous debate. Here, we investigate the ultrafast dynamics of the photoinduced phase transition in VO under low perturbation conditions.
View Article and Find Full Text PDFAdv Sci (Weinh)
January 2025
State Key Laboratory of Materials Processing and Die & Mould Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology (HUST), Wuhan, 430074, China.
Lithium metal batteries are considered the holy grail for next-generation high-energy systems. However, lithium anode faces poor reversibility, unsatisfying cyclability and rate capability due to its uncontrollable plating/stripping behavior. While galvanostatic conditions are extensively studied, the behavior under more realistic application scenarios with variable inputs are less explored.
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