Tuning precise numbers of supported nickel clusters on graphdiyne for efficient CO2 electroreduction toward various multi-carbon products

Lithium stabilizes square-two-dimensional metal sheets: a computational exploration

“…Transition metals (Au and Ag) and even main group metals (Sb and Bi) can electrocatalyze CO 2 reduction. 60–65 Considering the good stability and metallicity of the four M 2 Li-I (M = Sb, Bi, Ag, and Au) sheets, we further explored their electrocatalytic performance in the CO 2 reduction reaction (CO 2 RR). The different adsorption configurations at possible sites were examined (Fig.…”

“…Electrochemical activity of the M 2 Li-I sheets for CO 2 RR Transition metals (Au and Ag) and even main group metals (Sb and Bi) can electrocatalyze CO 2 reduction [60][61][62][63][64][65]. Considering the good stability and metallicity of the four M 2 Li-I (M = Sb, Bi, Ag, and Au) sheets, we further explored their electrocatalytic performance in the CO 2 reduction reaction (CO 2 RR).…”

Single-Atom Catalysts Supported on the Graphene/Graphdiyne Heterostructure for Effective CO2 Electroreduction

“…Thus, the development and design of more efficient, stable SACs that can significantly reduce the overpotential for CO 2 RR and suppress HER are highly desirable. As opposed to graphene, graphdiyne (GDY) assembled with sp (p x –p y π/π* states) and sp 2 (p z π/π* states) hybridized carbon atoms with diacetylenic linkages connecting adjacent benzene rings exhibits a high degree of π conjugation. , The unique alkyne-rich structure and electronic properties render GDY an ideal support for a single atom, and the strong d−π interaction between the GDY and the transition metal atoms can stabilize and prevent the aggregation of SACs during the fabrication. − …”

Supported Cu3 clusters on graphitic carbon nitride as an efficient catalyst for CO electroreduction to propene

“…In particular, the synergistic effect between the metal atoms within SMCs can tune the adsorption mode of some key intermediates and optimize the reaction pathways, leading to significantly improved catalytic activity and selectivity. 21–23 Thus, some promising SMCs have been proposed experimentally and theoretically, such as anchored Fe 2 , 24 Ag 2 , 25 Ru 3 , 26 Rh 3 , 27 Mo 3 , 28 Ni 4 , 29 Cu 4 , 30 and Au 8 clusters, 31 which showed outstanding catalytic performance for some important electrochemical reactions.…”