Tuning electronic properties of conductive 2D layered metal–organic frameworks via host–guest interactions: Dioxygen as an electroactive chemical stimuli

Thermodynamics and kinetics of O2 adsorption and its impacts on structural features and conductive behavior of 2D π-stacked layered metal–organic frameworks (MOFs) are studied using periodic PBE-D3 quantum mechanical calculations. Our computed O2 adsorption energies of Co3(HTTP)2 (HTTP = hexathiotri...

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Veröffentlicht in:	APL materials 2021-05, Vol.9 (5), p.051109-051109-10, Article 051109
Hauptverfasser:	Momeni, Mohammad R., Zhang, Zeyu, Dell’Angelo, David, Shakib, Farnaz A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Materials Science Materials Science, Multidisciplinary Nanoscience & Nanotechnology Physical Sciences Physics Physics, Applied Science & Technology Science & Technology - Other Topics Technology
Online-Zugang:	Volltext
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