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In this work, we have systematically investigated the HER activity of the RE2Co17 (RE = Y, Pr, Gd, Tb, Ho and Er) series and revealed that their HER activities are highly correlated with the averaged Co–Co bond length of each compound. The HER performance follows the order of Gd2Co17 > Tb2Co17 > Pr2Co17 > Y2Co17 > Ho2Co17 > Er2Co17. This suggests that the unique feature of rare-earth metals, lanthanide contraction, can effectively alter the interatomic spacing and impact the corresponding HER activity. Additionally, Gd2Fe17 and Gd2Ni17 with different d electron density in the system were synthesized and comparison of their HER efficiencies is also discussed. Gd2Ni17 demonstrates the highest HER efficiency among all samples, and it only requires an overpotential (η) of 44 mV to acquire a current density of 10 mA cm−2. The theoretical calculation offers a clue that the H adsorption energy (GHad) for H atoms on Ni is lower than that on Co and Fe due to the high electron population in the antibonding state of the Ni atom. This well explains the origin of the synergistic effect for the high electrocatalytic HER of these iron triad intermetallics. [ABSTRACT FROM AUTHOR]

Abstract: A simple adduct from tin tetraiodide SnI4 and octasulfur S8, SnI4⋅(S8)2 (1), is obtained employing a facile reaction. The combination of Sn4+ ions with d10 electron configuration, acentric SnI4 tetrahedra, and lone‐pair effects of S8, makes 1 a phase‐matchable infrared NLO crystal with a moderate second‐harmonic generation (SHG) response and a very high laser‐induced damage threshold (LIDT), which is well confirmed by the DFT calculations. [ABSTRACT FROM AUTHOR]