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Updated: Dec 1, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
One-dimensional DABCO hydrogen-bonding chain in a hexagonal channel of magnetic [Ni(dmit)2]
Simin Li1, Kiyonori Takahashi, Ichiro Hisaki
1Graduate School of Environmental Science, Hokkaido University, N10W5, Kita-ku, Sapporo 060-0810, Japan. ktakahashi@es.hokudai.ac.jp tnaka@es.hokudai.ac.jp.
Abstract:
Crystals of (HDABCO+)9(DABCO)[Ni(dmit)2]9·6CH3CN were shown to have a space group of R3[combining macron], a hexapetal flower-like channel of [Ni(dmit)2] anions, and a one-dimensional hydrogen bonding chain composed of protonated DABCO and CH3CN molecules. The crystals display antiferromagnetic and ferromagnetic interactions within and between hexamers, respectively, whereas the flexible DABCO-CH3CN array shows dielectric relaxation.
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