2020
DOI: 10.1016/j.gee.2020.10.021
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Enhancing the dynamic electron transfer of Au species on wormhole-like TS-1 for boosting propene epoxidation performance with H2 and O2

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Cited by 35 publications
(16 citation statements)
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“…It is worth noting that nanomaterials with low crystallinity have been found to outperform their crystalline counterparts in electrocatalytic water splitting [24–27] . Firstly, they always possess small particle size and large surface area, which will expose more active sites for catalytic reaction [28] .…”
Section: Introductionmentioning
confidence: 99%
“…It is worth noting that nanomaterials with low crystallinity have been found to outperform their crystalline counterparts in electrocatalytic water splitting [24–27] . Firstly, they always possess small particle size and large surface area, which will expose more active sites for catalytic reaction [28] .…”
Section: Introductionmentioning
confidence: 99%
“…3d, which are attributed to typical [Si(OSi) 4 ](Q4) species and the (SiO) 3 SiOH(Q3) species functionalized with hydroxyl groups, respectively. 45–49 The Q3 signal in the spectrum is usually considered to be due to the existence of lattice defects, mainly in the form of the surface silicon hydroxyl group and/or the nest of silanol groups. The reduction of surface hydroxyl groups indicates better hydrophobicity, which is conducive to the desorption of PO and suppresses the occurrence of side reactions, for example, the production of propylene glycol from the acid hydrolysis of PO.…”
Section: Resultsmentioning
confidence: 99%
“…For the CoO x –Co­(111) model, two oxygen atoms were placed on the Co(111) surface to represent the CoO x structure. The Perdew–Burke–Ernzerhof (PBE) exchange–correlation functional was selected based on the generalized gradient approximation (GGA). , TS’s DFT-D2 was used to consider the inclusion of vdW interaction . A 3 × 3 × 1 k -point generated by the Monkhorst–Pack method was used to calculate the integration of the Brillouin zone, and spin-polarization was also considered for calculation.…”
Section: Methodsmentioning
confidence: 99%