A density functional theory study of Nix (x = 4–16) cluster impregnation effects in multi-metal (Ce, Ti) UiO-66 metal–organic frameworks

• Published in: New journal of chemistry Vol. 47; no. 18; pp. 8549 - 8557
• Main Authors: Phanikumar Pentyala, Biswas, Prakash, Jha, Prateek K
• Format: Journal Article
• Language: English
• Published: Cambridge Royal Society of Chemistry 31.03.2023
• Subjects: Catalytic activity; Cerium; Clusters; Density functional theory; Localization; Mathematical analysis; Metal-organic frameworks; Reforming; Structural stability; Substitution reactions; Synthesis gas; Titanium

Nickel (Ni) has been used as an active metal component catalyst for attaining high conversion in the tri-reforming of methane (TRM) reaction, which produces synthesis gas as a product. Impregnation of Ni within the multi-metal MOF (MM-MOF) materials results in enhanced catalytic activity for TRM. In...