Work

Graph Theoretical Approach to Topological Features of Zeolitic Tetrahedral Imidazolate Framework-3

Year: 2025

Type: article

Abstract: A subclass of metal-organic frameworks (MOFs) known as zeolitic imidazolate frameworks (ZIFs) has drawn a lot of interest because of its capacity to create useful materials via thermal processing. Their capacity to transport electrons and respond to light is improved by this change, which makes them attractive options for photocatalytic uses. When ZIFs are thermally treated, they can be combined to create composites, heterostructures with other semiconductors, or materials with enhanced redox, charge-transfer, and light-capturing capabilities. Due to the dearth of theoretical characterisation predictions in the literature, we concentrate on tetrahedral imidazolate framework-3 (TIF-3), a well-known family of ZIFs, in this work. We fill this gap by using topological indices to reduce the intricacy of TIF-3's two-dimensional structure and methodically list all of its characteristics. Lastly, by establishing a statistical link with the TIF-3 features obtained through experimentation, we validate these attributes.

Source: Malaysian Journal of Fundamental and Applied Sciences

DOI: 10.11113/mjfas.v21n2.4127

Authors: Abdelli Fathi, Tony Augustine, Mohamad Nazri Husin, J. Sahaya Vijay, Jain Maria Thomas, Santiago Roy

Institutions: Universiti Malaysia Terengganu, Vellore Institute of Technology University

Language: English

Topic: Metal-Organic Frameworks: Synthesis and Applications

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: diamond

Funder: Universiti Malaysia Terengganu

OpenAlex ID: W4409712215

FWCI:

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