Search arXivSearch

arXiv · 2406.06981

Half Heusler alloy CoVSn as self-supported electrocatalyst for hydrogen evolution reaction

Abstract

Despite significant advancements in electrocatalysis for clean hydrogen fuel generation, the transition from concept to commercialization faces challenges due to the instability of electrocatalysts. This study delves into the exploration of a structurally and mechanically robust half-Heusler alloy, CoVSn, as an efficient electrocatalyst for hydrogen production. The synthesis of CoVSn was achieved using the arc-melting technique and optimized successfully into a cubic structure - a previously unattained and highly challenging feat. The resulting electrode, cut from the obtained CoVSn pellet, served as a self-supported electrocatalyst and initially generates a current density of 10 mA cm-2 at an overpotential of 244 mV. Remarkably, this overpotential decreased uniquely over time, reaches 202 mV after a durability testing of 12 hours, while maintaining its crystal structure integrity after the electrocatalysis process. This progressive enhancement in catalytic activity and structural stability underscores the significance of this research. The synergistic effect between Co and V atoms as pivotal active centers for hydrogen generation was evident, further enhanced by formation of high valance metal sites Co2O3 and V2O3 during the hydrogen evolution reaction. In essence, this study confirms the stability and promise of CoVSn in hydrogen generation, paving the way for exploring additional self-supported ternary intermetallics to enhance water-splitting efficiency.

Explore related subjects

Keep this discovery

BibTeXRIS

Deepak Gujjar, Hem C. Kandpal. 2024-06-11. Half Heusler alloy CoVSn as self-supported electrocatalyst for hydrogen evolution reaction. https://arxiv.org/abs/2406.06981

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Breaking Water at Graphene Defects

Water dissociation at solid surfaces underpins processes ranging from corrosion and catalysis to electrochemistry and photovoltaics. Defects often serve as reactive sites for dissociation, yet how solvation influences water dissociation at such sites remains poorly understood. Here, we use state-of-the-art machine-learned interatomic potentials to explore water dissociation at defective graphene-water interfaces. We show that solvation qualitatively changes the reaction mechanism at a graphene single vacancy (SV), opening pathways that are absent for an isolated water molecule. Whereas the gas-phase process proceeds via a single concerted channel, the solvated SV splits water through two competing pathways: a basic route forming SV-H and OH-(aq), and an acidic route forming SV-OH and H3O+(aq). These lower-barrier pathways produce distinct chemisorbed intermediates that enhance graphene-water adsorption. Accordingly, even a simple carbon vacancy gives rise to unexpectedly rich interfacial chemistry, coupling surface chemistry to interfacial charge and wettability, with implications for carbon functionalization and nanofluidic transport.

physics.chem-ph

Comprehensive Study of L-Menthol and Octanoic Acid as a Hydrophobic Eutectic Solvent

Hydrophobic eutectic solvents (HES) based on natural compounds represent promising green alternatives to conventional solvents. In this work, we investigate the physicochemical, structural, and dynamical properties of an ES formed by L-menthol and octanoic acid using a combined experimental and molecular dynamics simulation approach. Five compositions with molar ratios from 1:3 to 3:1 were studied with molecular dynamics simulation in the temperature range 15 degrees C to 35 degrees C. Experimental measurements of density and viscosity in the temperature range from 5 degrees C to 35 degrees C were complemented with results obtained from MD simulations employing the OPLS force field. Structural analyses based on radial distribution functions and Kirkwood-Buff integrals reveal that the dominant interactions in the mixture are hydrogen bonds between L-menthol and octanoic acid molecules. Dynamic properties, including self-diffusion coefficients and hydrogen-bond lifetimes, indicate that intermolecular hydrogen bonds between the two components are stronger and longer-lived than bonds between identical species. These findings provide molecular-level insight into the structure and transport properties of menthol-based ESs relevant for green solvent applications.

physics.chem-ph

More is not always better: Dissociative photoionization limits the EUV absorbing photacid generator pentafluorophenyl triflate in photolithography

Pentafluorophenyl triflate has been explored as a highly absorbing neutral photoacid generator (PAG) candidate for next generation chemically amplified resists used in extreme ultraviolet (EUV) lithography. Although increased fluorination enhances EUV absorption, this study demonstrates that such an approach does not necessarily improve photoacid generation efficiency. Using photoelectron-photoion coincidence (PEPICO) spectroscopy at the 92 eV photon energy of the EUV scanners in combination with quantum chemical calculations, the dissociative photoionization of pentafluorophenyl triflate was systematically investigated. The photoionization mass spectrum reveals extensive fragmentation, with the parent ion contributing only 3.1 % of the total signal and CF$_3^+$ representing the dominant product ion. Computed appearance energies align well with experimental trends and support a sequential fragmentation pathway involving loss of SO$_2$, CF$_3$, and CO. Crucially, none of the major dissociation channels yield precursors capable of forming triflic acid, the strong photoacid required for efficient deprotection reactions in chemically amplified resists. Combined with previous dissociative electron attachment studies indicating similarly unfavorable fragmentation, the results demonstrate that despite its high EUV absorption cross section, pentafluorophenyl triflate is unsuitable as a PAG for EUV lithography. The findings highlight the importance of understanding fundamental photoionization and electron interaction mechanisms to guide the rational design of next generation high performance EUV photoresists.

physics.chem-ph