Platinum doped iron carbide for the hydrogen evolution reaction: The effects of charge transfer and magnetic moment by first-principles approach

Defective Cr2CTx-based sensors with high sensitivity for NO2 detection at room temperature

“…7(a) and (b) demonstrate that the TDOS for Cr 2 C and Cr 2 CO 2 MXenes displays metallic characteristics; the uneven spin of their up and down states suggests magnetism. 57 Fig. 7(c) reveals that VB 2 is affected by both C 2p (spin down) and Cr 3d (spin up) states, whereas VB 1 and CB mainly originate from Cr 3d states.…”

Two-Dimensional Half-Metallic and Semiconducting Lanthanide-Based MXenes

“…The evident phonon gaps might enable the applications of these M 2 C configurations in phononic crystals. 65 Based on the stable T-type configurations, spin-polarized band structures for all the M 2 C configurations are calculated, 66,67 and the corresponding results are provided in Figure S1 in Supporting Information. From the figure, all the bare M 2 C MXenes are observed to be magnetic metals.…”

Polyoxometalates combined polypyrrole induced bimetallic phosphides for electrocatalytic hydrogen evolution

“…[12][13][14][15][16][17][18][19] The hydrogen evolution activity of these electrocatalysts can be effectively enhanced by the synergistic effect of doping with other metallic ions. 20 For example, Xu and co-workers used dicyandiamide and polyoxometalate Co 4 P 4 W 30 doped with metallic cobalt ions and our group successfully prepared N-doped carbon-coated porous nanoparticle electrocatalysts Co/WC@NC by in situ high temperature carbonization, which exhibits satisfying catalytic activity with overpotentials of 142 and 158 mV and Tafel slopes of 93 and 95 mV dec À1 in acid and alkali electrolytes with durability for up to 24 h. 21 Conductive polymers (polyaniline, polypyrrole, polyacetylene, etc.) have recently shown promising applications in the field of electrocatalysis.…”