Impact of Ni(ii) coordinatively unsaturated sites and coordinated water molecules on SO2 adsorption by a MOF with octanuclear metal clusters

A Ni-based pyrazolate MOF (NiBDP) is studied for SO2 adsorption under static conditions, demonstrating a high SO2 uptake of 8.48 mmol g−1 at 298 K and 1 bar while maintaining a high chemical stability. The influence of Ni(ii) coordinatively unsaturated metal sites and coordinated water on the SO2 ad...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of materials chemistry. A, Materials for energy and sustainability Materials for energy and sustainability, 2024-04, Vol.12 (17), p.10157-10165
Hauptverfasser:	Obeso, Juan L, Gopalsamy, Karuppasamy, Wahiduzzaman, Mohammad, Martínez-Ahumada, Eva, Fan, Dong, Lara-García, Hugo A, Carmona, Francisco J, Maurin, Guillaume, Ibarra, Ilich A, Navarro, Jorge A R
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Density functional theory Heavy metals Mathematical analysis Metal clusters Metal-organic frameworks Monte Carlo simulation Sulfur dioxide Water chemistry
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!