Boosting Activity and Selectivity of CO₂ Electroreduction by Pre‐Hydridizing Pd Nanocubes

Abstract

Efficient CO 2 storage and utilization technologies are urgently needed to mitigate the global climate change and ocean acidification issues caused by the continuing increase of CO 2 levels

Two-Dimensional Palladium–Copper Alloy Nanodendrites for Highly Stable and Selective Electrochemical Formate Production

“…Since PdH x is experimentally suggested to be the active species under the CO 2 RR condition, we selected the closest-packed PdH (100) as the computational model for pure Pd. 31 As for the bimetallic PdCu alloy, one-third of Pd atoms in PdH (100) are replaced by Cu atoms to simulate the chemical composition of nd-PdCu-1. Our calculations suggest that the formation energy of Cu doping does not significantly depend on its position or the relative distance between two dopants.…”

“…We carried out density functional theory (DFT) calculations to investigate the origin of the excellent selectivity and stability of our nd -PdCu (see more details in the Supporting Information). Since PdH x is experimentally suggested to be the active species under the CO 2 RR condition, we selected the closest-packed PdH (100) as the computational model for pure Pd . As for the bimetallic PdCu alloy, one-third of Pd atoms in PdH (100) are replaced by Cu atoms to simulate the chemical composition of nd -PdCu-1.…”

Emerging interstitial/substitutional modification of Pd-based nanomaterials with nonmetallic elements for electrocatalytic applications

“…139,140 By doping H or B into Pd, the adsorption energy of the reaction intermediates on Pd is changed and thus endows Pd with enhanced selectivity for electrochemical CO 2 RR. 8,[140][141][142][143][144] Chen's group found that the PdH x formed under the electrocatalytic reaction process could act as efficient electrocatalysts that enabled syngas production (CO and H 2 ). 143 The XANES, EXAFS and XRD characterizations (Fig.…”

“…8 The same group also proved that apart from the in situ-formed Pd-H during the electrochemical reduction process, pre-hydridized Pd nanocubes could also improve the selectivity and activity for syngas production via electrochemical CO 2 RR, compared with Pd nanocubes. 141 To understand the active phase of Pd-based electrocatalysts in CO 2 RR electrocatalysis, the researchers can take advantage of active-phase engineering to tune the selectivity of Pd NPs. For instance, it was found that the formation of a H-adsorbed Pd surface on a mixture of αand β-phases of Pd-H core ((α + β)-PdH x @PdH x ) above −0.2 V promoted formate production through the HCOO* intermediate.…”

Fundamental Aspects of Enhancing Low-Temperature CO2 Splitting to CO on a Double La2NiFeO6 Perovskite

“…In order to utilize CO 2 , it should first be reduced to CO by cleaving the strong CO bond. The following three ways of CO 2 splitting have been documented: electrochemical, , photocatalytic, − and solar thermochemical CO 2 reduction methods. − However, since the CO 2 conversion rate through the electrochemical or photocatalytic route is not sufficient for commercialization, the applications to industrial fields have not matured in spite of their low operation temperature. On the other hand, solar thermochemical CO 2 reduction provides a high CO 2 conversion rate by utilizing easily accessible solar power and is a promising route for recycling CO 2 .…”