01818nas a2200277   4500008004100000022001400041245012800055210006900183260000900252300001400261490000700275520088200282653002001164653002101184653003201205653001801237653002601255100001901281700002001300700001601320700002101336700002301357700001801380700002501398856011701423       2021                        eng d  a1864-563100aStructure-tailored non-noble metal-based ternary chalcogenide nanocrystals for pt-like electrocatalytic hydrogen production0 aStructuretailored nonnoble metalbased ternary chalcogenide nanoc  cAUG   a3074-30830 v143 aA facile microwave-assisted strategy was employed to synthesize Ni3Bi2S2 nanocrystals. Variation in the synthesis conditions tuned the composition of monoclinic and orthorhombic phases of Ni3Bi2S2. The electrochemical hydrogen evolution activity of the catalyst with highest percentage of monoclinic phase demonstrated a negligible onset potential of only 24 mV close to that of state-of-the-art Pt/C with an overpotential as low as 88 mV. Density functional theory calculations predicted the monoclinic phase exhibit the lowest adsorption free energy corresponding to hydrogen adsorption (Delta GadsH*) and, therefore, the highest hydrogen evolution activity amongst the considered phases. The quasi-2D structure of monoclinic phase facilitated an increased charge-transfer between Ni and Bi, favoring the downward shift of the d-band center to enhance the catalytic activity.10acharge transfer10aelectrocatalysis10ahydrogen evolution reaction10aNanomaterials10aternary chalcogenides1 aSarkar, Shreya1 aRawat, Abhishek1 aDas, Tisita1 aGaboardi, Mattia1 aChakraborty, Sudip1 aVinod, C., P.1 aPeter, Sebastian, C.  uhttps://library.ncl.res.in/content/structure-tailored-non-noble-metal-based-ternary-chalcogenide-nanocrystals-pt