Composites of Platinum-Iridium Alloy Nanoparticles and Graphene Oxide for the Dimethyl Amine Borane (DMAB) dehydrogenation at ambient conditions: An Experimental and Density Functional Theory Study

Abstract

In this paper, we present the synthesis, characterization, catalytic and computational studies of Composites of Platinum-Iridium Alloy Nanoparticles and Graphene Oxide (PtIr@GO) for dimethylamine borane (DMAB) dehydrogenation. The prepared PtIr@GO nanocatalysts were synthesized using an ethanol super-hydride method, and the characterization procedures for PtIr@GO alloy nanoparticles were carried out by various advanced spectroscopic methods like X-ray Diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Transmission Electron Microscopy(TEM) and high-resolution transmission electron microscopy (HRTEM). Additionally, catalytic activity, reusability, substrate concentration, and catalyst concentration experiments were performed for DMAB dehydrogenation catalyzed by PtIr@GO alloy nanomaterials. According to the results obtained in this study, PtIr@GO NPs catalyst was found to be active and reusable for the DMAB even at ambient conditions. Besides, DFT-B3LYP calculations have been utilized on PtIr@GO cluster to reveal the prepared catalyst activity. The calculated findings based on DFT was found to be a good agreement with experimental results.

Covalently Modified Graphene Oxide as Highly Fluorescent and Sustainable Carbonaceous Chemosensor for Selective Detection of Zirconium ion in Complete Aqueous Medium

“…However, in the case of the GOP-Zr, after the optimization, the Zr complexed bis (pyridinic) motif has come closer to the GO surface via the rotation of the ester bond linkage. In the molecular orbital analysis from the DFT studies, − a notable energy gap between the occupied and unoccupied orbitals (HOMO–LUMO) was observed for GOP in which the energies of the occupied molecular orbitals are closer to each other than the unoccupied orbitals. The energy gap of HOMO–LUMO is Δ E = 0.77 eV.…”

The Hydrogen‐Storage Challenge: Nanoparticles for Metal‐Catalyzed Ammonia Borane Dehydrogenation

“…Reproduced with permission. [118] Copyright 2019, Springer Nature. achieved a specific surface area and pore volume of 1138 m 2 g −1 and 0.44 cm 3 g −1 with hierarchical nanopores centered at ca.…”

“…Dehydrogenation of DMAB, as a more demanding reaction, has also been recently achieved by using platinum bimetallic alloying with iridium. [ 118 ] Composites of Pt–Ir alloy nanoparticles and GO were prepared by reducing Pt(IV) and Ir(III) chlorine salts in a THF solution using the super hydride ethanol reduction method at RT. The average particle size was 4.3 ± 0.4 nm.…”

“…c)The EELS analyses of PtIr@GO nanoparticles. Reproduced with permission [118]. Copyright 2019, Springer Nature.…”

Polymer Hydrogel Supported Ni/Pd Alloys for Hydrogen Gas Production from Hydrolysis of Dimethylamine Borane with a Long Recyclable Lifetime

“…DMAB is cheaper and better than NaBH 4 and AB on the market, with the potential to reduce the cost of hydrogen production. At present, most hydrogen production reactions based on DMAB are carried out in organic solvents such as dioxane, tetrahydrofuran, and toluene [ 3 , 4 , 5 , 6 , 7 , 8 , 9 , 10 , 11 , 12 , 13 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 , 22 ] or via solvent-free dehydrogenation of DMAB [ 23 , 24 , 25 ]. However, in terms of green energy and safety, it is of critical importance to replace the organic solvents with water.…”