Atomistic understanding of hydrogen loading phenomenon into palladium cathode: A simple nanocluster approach and electrochemical evidence

Abstract

The inherent potency of palladium to sorb hydrogen atoms was examined empirically and theoretically through various electrochemical methods and high-level quantum chemical calculations (HSE06) based on cluster model (CM) and density functional theory (DFT). The CM-DFT approach using QZVP/cc-PV6Z basis sets revealed a strong attraction between Pd nanoclusters and H atoms that generates some charged entities. This atomistically justifies why the electrochemical impedance of the system becomes less by the loading phenomenon. It is concluded that hydrogen atoms enter the palladium subsurface through hollow and bridge sites by diffusing as proton-like species and get loaded predominantly in the octahedral voids.

CO2 conversion into methanol under ambient conditions using efficient nanocomposite photocatalyst/solar-energy materials in aqueous medium

“…5. The redox reactions occurring during the water-splitting process are proton reduction (eqn (4)) and hydroxide oxidation (eqn (5)), and the overall process is splitting of H 2 O molecules: 17,38 (4)…”

Electrochemical insights into bacterial respiration upon polarized substrates: A proposal for tricking bacteria and compelling them to exhibit desired activities

“…This background current is related to the proton reduction phenomenon -that is the characteristic of aqueous electrolytes, being normally observed under negative overvoltages [14]. Moreover, the observation of a linear tail in these potentiodynamic plots indicates the existence of an ohmic relationship between current density and overvoltage, which could be ascribed to the water electrolysis phenomenon (H 2 gas evolution process on the cathode surface [14]) being taken place under high-overvoltage conditions.…”

“…At lower frequencies, however, the impedance response of the bacterial cells seems complicated. This behavior might be attributed to the complex nature of biological processes occurring in living organisms [60], which could not be exactly interpreted through the conventional models classically developed for abiotic systems [14,[59][60][61].…”

“…In the case of electrodic processes, it is worth noting that some hydrogen atoms (radicals) are transiently generated on the cathode surface through the proton reduction reaction, viz. [14]. These atoms are reactive and could attack the oxygen species at the interface region, and eventually convert them to water or hydrogen peroxide [15][16].…”

A nanocomposite p-type semiconductor film for possible application in solar cells: Photo-electrochemical studies

“…By irradiation of photons on the photoelectrode surface, because of creation of charged entities (e/h) [38], we expect that the impedance of system decreases and the charge transfer resistance (the diameter of semicircle) becomes low. This expectation is clearly approved by electrochemical impedance data plotted in Fig.…”