Activation and Reactions of CO₂ on a K-Promoted Au(111) Surface

Theoretical study of the influence of Na on CO adsorption and dissociation on Pd(111): Long-range or short-range interactions between co-adsorbates?

“…From Table 1, it is clear that CO adsorption at all studied hollow sites on Na/Pd(1 1 1) is more or less enhanced, in agreement with the experimental results that the presence of alkali metal atoms stabilize CO adsorption on transition metal surfaces [31]. The most increment for CO adsorption is found at the first-nearest fcc site (f1), with the adsorption energy 0.27 eV lower than that on the clean Pd(1 1 1).…”

In Situ Measurement of CO2 and H2O Adsorption by ZIF-8 Films

“…This assignment is consistent with previous studies of CO 2 desorption from other surfaces. 21,22 The α 1 peak appears first at low exposures and grows with increasing exposure, saturating at approximately 3 × 10 16 CO 2 molecules just prior…”

One-Pot Synthesis of N,N′-dialkylureas via Carbonylation of Amines with CO2 Applying Y0.08Zr0.92O1.96 Mixed Oxide (YSZ-8) as a Heterogeneous Catalyst

“…Besides, no reaction was observed to occur between secondary amine and CO2 in the presence of catalyst YSZ-8 (see Table 2, entry 9). Mechanistic studies in literature showed that the presence of oxygen vacancies in catalysts (such as ceria oxide and rhodium oxide) played a key role in the adsorption and activation of CO2 on the catalyst surface by creating additional reduction potential for the transformation of CO2 to CO and/or surface carbonaceous species [41,43]. Meanwhile, XRD and XPS analysis revealed that oxygen vacancy sites and/or sub-lattice zirconium Consistently with the results reported in the literature [19], aromatic primary amines such as aniline 1f showed very low reactivity towards the carbonylation reaction, with only 3.07% conversion and a negligible GC yield of 2f, where quiazoline and 1-isocyanatobenzene were detected as the main by-products (entry 8).…”

“…Elimination of complex C could also afford the byproduct isocyanate (Route I2). Meanwhile, an electron transfer from the oxygen vacancy site of YSZ-8 to the adsorbed CO2 in complex A could result in the formation of both CO species (D) and O − by creating additional reduction potential [22,43]. Afterwards, a nucleophilic attack of the freshly-formed CO by an amine occurs, generating H + and complex E. Subsequent C-C coupling of complex E would yield the byproduct N,N′-dialkyloxamide (3), accompanied by the catalyst regeneration (Route II).…”