Study on the poisoning resistance of Pd-coated ZrCo alloy prepared by electroless plating method

Density Functional Theory-Based Kinetic Modeling of Reactions of Hydrogen Isotopes (H2, D2, T2) and Carbonaceous Gases (CO2, CO, CH4) on the ZrCo(110) Surface

“…The dissociation adsorption energy of H 2 was calculated to be Δ E ads = −1.63 eV, and adsorption energies of CO and CO 2 on ZrCo were calculated as −2.02 and −2.50 eV, respectively. The stronger binding strength of CO and CO 2 than H 2 indicates that, when exposed to the H 2 + CO or H 2 + CO 2 mixture, the active sites of the ZrCo surface would be preferentially occupied by the impurities which deteriorate the hydrogen adsorption kinetics heavily, as confirmed from experiments. ,, …”

“…The stronger binding strength of CO and CO 2 than H 2 indicates that, when exposed to the H 2 + CO or H 2 + CO 2 mixture, the active sites of the ZrCo surface would be preferentially occupied by the impurities which deteriorate the hydrogen adsorption kinetics heavily, as confirmed from experiments. 21,33,55 Moreover, the dissociation reaction of CO into C and O occurs in a relatively low barrier (0.20 eV), and the dissociation of CO 2 into CO and O is barrierless. After dissociation, adsorption energies of CO and CO 2 on ZrCo are much lower than H 2 , as shown in the final states in Figure 2.…”

Research Progress on the Anti-Disproportionation of the ZrCo Alloy by Element Substitution

“…At present, the performance of the ZrCo-based alloy cannot meet requirements, and it is unable to meet the high-pressure transportation required by the storage and delivery system at the current working temperature that suppresses disproportionation, or eliminate the disproportionation at the high temperature that meets the storage and transport rate. Obviously, element substitution is the most tried and promising way to improve the anti-disproportionation of the ZrCo alloy, compared to other methods [ 64 , 67 , 97 , 98 , 99 , 100 , 101 , 102 , 103 , 104 ]. To date, many experiments have shown that samples with smaller lattice parameters and cell volume have the expected anti-disproportionation ability.…”

Unraveling CO adsorption behaviors and its poisoning effects on ZrCo surface

“…Li et al 38 compared the effects of some measures such as alloying, fluorinating, and electroless plating on the resistance of ZrCo alloy to a low-pressure poisonous gas. Then Guo et al 39 plated Pd membrane coating on ZrCo alloy, which effectively improves anti-impurity gas poisoning but has the saturated hydrogen capacity decreasing from 1.9 wt% to 0.71 wt%. What is more, Bi et al 40 proposed an in situ surface reconstruction strategy to generate well-dispersed metallic Co nanoclusters on the ZrCo surface at 550 °C in a H 2 + CO 2 mixed gas.…”