Strength, number, and kinetics of hydrogen bonds for water confined inside boron nitride nanotubes
Year: 2024
Type: article
Abstract: a saddle point) to a nearby second PMF well. Therefore, our analysis successfully distinguishes the HB characteristics between the cases of water in extreme confinement and bulk water. Second, we study the kinetics of such water-water HBs: HBs formed by a given pair of water molecules in extreme confinements show a much larger probability of remaining intact once formed or re-forming after they have been broken. Both these results, which shed new light on water-water hydrogen bonding inside strong nanoconfinements, can be explained by the single-file structure formed by the water molecules in extreme BNNT confinements.
Source: Nanoscale Advances
DOI: 10.1039/d3na00948c
Authors: Bhargav Sai Chava, Siddhartha Das
Institution: University of Maryland, College Park
Language: English
Subfield: Biomedical Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $1,962
OpenAlex ID: W4396232209