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1 papers
Roy S., Das M., Bandyopadhyay A. et al. · Journal of Physical Chemistry C · 2017
Reported here: NMOF-1 DFT chain/stack model
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| NMOF-1 DFT chain/stack model2017 · Colossal Increase in Electric Current and High Rectification Ratio in a Photoconducting, Self-Cleaning, and Luminescent Schottky Barrier NMOF Diode | modelled NMOF-1 fragmentsZn(II) centres in modelled OPE-C12 coordination chains · OPE-C12 fragments | 1D · Model SystemTwo model packings: three OPE-C12 molecules connected by two Zn atoms forming a 1D chain, and pi-pi stacked molecular packing. | 4 · Results and Discussion · Figures 3 and S14 |