Pd (II) decorated conductive two-dimensional chromium-pyrazine metal-organic framework for rapid detection of hydrogen. (19th February 2022)

• Record Type: Journal Article
• Authors: DMello, Marilyn Esclance; Sahoo, Ramesh Chandra; Raghunathan, Rajamani; Matte, H.S.S. Ramakrishna; Yadav, Priyanka; Shanbhag, Ganapati V.; Kalidindi, Suresh Babu
• Is Part Of: International journal of hydrogen energy. Volume 47:Number 15(2022)
• Page Start: 9477
• Page End: 9483
• Publication Date: 2022-02-19
• Subjects: MOF Metal-Organic Framework; Hydrogen -- Palladium -- Metal-organic frameworks -- Chemiresistive gas sensors; Hydrogen as fuel -- Periodicals; Hydrogène (Combustible) -- Périodiques; Hydrogen as fuel; Periodicals; 665.81
• DOI: 10.1016/j.ijhydene.2022.01.003
• Languages: English
• ISSNs: 0360-3199

Abstract

Abstract: The utilization of H2 for versatile application has demanded highly selective, low cost and rapid hydrogen sensors that are proficient in sensing H2 near flammability limit. In this report, Cr III Cl2 (pyrazine)2 MOF with negatively charged pyrazine linkers in its structure is used for the stabilization of Pd (II) via charge transfer interactions. This material design turned an innocent MOF into selective hydrogen sensor that can respond (through decrease in resistance under dynamic sensing setup) to H2 in 5–7 s with a detection range of 0.25%–1% H2 concentration. A correlation of H2 sensing characteristics and the structure-property relationship is established using density functional theory (DFT) calculations. The calculations suggested that near fermi level in Pd II @CrPy, the bandwidth increases upon interaction with H2 thereby the phase space for electron delocalization increases leading to better carrier mobility. This new approach not only yields novel sensing properties but also enables limited usage of precious metal to develop cost-effective sensors. Graphical abstract: Image 1 Highlights: Cr III Cl2 (pyrazine)2 MOF with negatively charged pyrazine linkers is used for the stabilization of Pd (II). Unique metal ion-MOF hybrid design led to the development of rapid (5–7 s) selective chemiresistive H2 sensor. Structure-property and sensing correlation is established using density functional theory (DFT) calculations. High dispersion of Pd (II) enables limited usage of precious metal for cost-effective sensors.