“…Influences of alloy content, membrane thickness, test conditions and potential contaminants (CO and H 2 O) on performances of Pd-alloy membranes have been widely and intensively investigated via experimental study. Moreover, detailed density functional theory (DFT) and Monte Carlo techniques have been used to predict the hydrogen permeability and the resistance to poisoning of the membranes based on diverse alloys, giving the guideline for the design of Pd-alloy membranes [26,27].…”