Role of defects in carbon materials during metal-free formic acid dehydrogenation

Abstract

Commercial graphite (GP), graphite oxide (GO), and two carbon nanofibers (CNF-PR24-PS and CNF-PR24-LHT) were used as catalysts for the metal-free dehydrogenation reaction of formic acid (FA) in liquid phase. Raman...

Disclosing the Role of Gold on Palladium – Gold Alloyed Supported Catalysts in Formic Acid Decomposition

“…Carbon monoxide prefers bonding on the metal atoms rather than at the interface between the cluster and the support. This may be attributed to the interaction of the O‐lone pair electrons with the inactive π‐conjugation of the support [41] . Then, formic acid was brought and relaxed on the most favourable CO adsorption site with diverse orientations.…”

Selective decomposition of hydrazine over metal free carbonaceous materials

“…61,62 Combining experimental and DFT studies, we reported recently the promising activity and selectivity of metal-free carbon catalysts in the generation of H 2 from formic acid. 63 In particular, we demonstrated that defects, especially single vacancies, are active in the formic acid dehydrogenation reaction even in the presence of oxygen groups. Similar investigations including a wide range of carbon dopants proved the same results in ammonia reforming.…”

“…All carbon-based materials were modelled starting from a single layer slab of a 6 Â 6 pristine graphene supercell and introduced different defects: single vacancy (SV), double vacancy (DV) and three different Stone Wales defects (SW1, SW2, and SW3). 63 The supercell is in a hexagonal crystalline system with unit cell vectors a and b lying in the surface plane and perpendicular to the c axis. Both, a and b, were optimized at 14.8 Å, in good agreement with experimental values obtained by Transmission Electron Aberration-corrected Microscopy (TEAM).…”

Experimental and Process Modelling Investigation of the Hydrogen Generation from Formic Acid Decomposition Using a Pd/Zn Catalyst

“…The decomposition of formic acid can take place via two possible pathways dependent upon the catalyst, reaction temperature, and reactant concentrations. The dehydrogenation of formic acid is shown in Equation (1), and the dehydration reaction is shown by Equation (2). The former reaction is slightly exothermic, while the latter reaction is slightly endothermic.…”

“…Formic acid (HCOOH) has proven immensely popular as a favourable hydrogen storage/generation material due to its high gravimetric and volumetric hydrogen capacity, ease of handling, non-toxicity, stability at room temperature, and abundant supply from the conversion of biomass and carbon dioxide (CO 2 ) [1]. The decomposition of formic acid reaction can be conducted in a liquid phase (at temperatures lower than 373 K) as well as in a gas phase (at excess temperatures), resulting in the dehydrogenation or dehydration pathways [2]. The former produces CO 2 and hydrogen (H 2 ) as products, and the latter generates carbon monoxide (CO) and water (H 2 O) products.…”