ArticleCommunications chemistry2025
London dispersion forces and steric effects within nanocomposites tune interaction energies and chain conformation.
Article in Communications chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- Self-assembling nanocomposites for smart drug delivery: towards personalized and stimuli-responsive therapeutics.RSC advances · 2026Review
- Dispersion-Controlled Excited-State Dynamics in Azobenzene Photoisomerization.Journal of the American Chemical Society · 2026Article
- Interacting Quantum Atoms Analysis of Covalent and Collective Interactions in Single Elongated Carbon-Carbon Bonds.Molecules (Basel, Switzerland) · 2025Article
- Protein Corona as a Result of Interaction of Protein Molecules with Inorganic Nanoparticles.International journal of molecular sciences · 2025Review
- Synthesis and characterization of thermolatent bases with varying activation temperatures.RSC advances · 2025Article
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The interplay between attractive London dispersion forces and steric effects due to repulsive forces resulting from the Pauli principle often determines the geometry and stability of nanostructures. Aromatic polyimides (PI) and carbon nanotubes (CNT) were chosen as building blocks as two components in the hetero delocalized electron nanostructures. Two PIs, having the same diamine part and different linkage substituents between two phenyl rings of dianhydride part, one linked with ether bond (C-O-C) (OPI), the other with C-(CF3)2 (FPI), were investigated. Surprisingly, two CNT/PI nanocomposites show distinct failure mode from CNT yielding to CNT pull-out failure. Calculation of the interaction energy and chain conformations of each PI upon CNT was performed by accurate density functional theory (DFT) calculations and molecular dynamic simulation (MDS). OPI chain adopt helically wrapping conformation around CNT with relatively strong interaction energy. FPI chain take the one-side wavelike conformation upon CNT with relatively weak interaction energy.
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Registered trials
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