2024
DOI: 10.1016/j.jallcom.2023.172858
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Synergistic effect of ZnMgAl-hydrotalcite nanomaterials electrocatalysts on high efficiency electrocatalytic reduction of CO2 to CO

Xuejiao Ma,
Tianxia Liu,
Boming Lu
et al.
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“…Numerous calculations were performed with the CASTEP component in the Materials Studio [ 39 , 40 ], targeting precise simulations of the electronic structure and traits of monolayer GeSe. These calculations utilized the plane-wave pseudopotential technique, where the exchange-correlation energy was handled via the generalized gradient approximation (GGA) following the Perdew–Burke–Ernzerhof (PBE) approach.…”
Section: Experimental Section and Theoretical Calculationsmentioning
confidence: 99%
“…Numerous calculations were performed with the CASTEP component in the Materials Studio [ 39 , 40 ], targeting precise simulations of the electronic structure and traits of monolayer GeSe. These calculations utilized the plane-wave pseudopotential technique, where the exchange-correlation energy was handled via the generalized gradient approximation (GGA) following the Perdew–Burke–Ernzerhof (PBE) approach.…”
Section: Experimental Section and Theoretical Calculationsmentioning
confidence: 99%