2020
DOI: 10.1039/d0cy00956c
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The nature of the active sites of Pd–Ga catalysts in the hydrogenation of CO2 to methanol

Abstract: The hydrogenation of CO2 to methanol is a viable alternative for mitigating greenhouse gases net emissions as well as a route for hydrogen storage and transportation. In this work, we...

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Cited by 34 publications
(35 citation statements)
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“…Pd 3 Sn behaves similarly as Pd, showing a larger bridged than atop CO adsorption peak, which may explain their similarity in catalytic behavior. As the Pd sites are diluted by Sn atoms in Pd 3 Sn 2 , the bridged CO adsorption peak disappears due to a lack of neighbored Pd sites [21] . Interestingly, the quenched PdSn nanocatalyst shows a strong atop CO adsorption at 2083 cm −1 and a weak but unique peak at 2030 cm −1 .…”
Section: Resultsmentioning
confidence: 99%
“…Pd 3 Sn behaves similarly as Pd, showing a larger bridged than atop CO adsorption peak, which may explain their similarity in catalytic behavior. As the Pd sites are diluted by Sn atoms in Pd 3 Sn 2 , the bridged CO adsorption peak disappears due to a lack of neighbored Pd sites [21] . Interestingly, the quenched PdSn nanocatalyst shows a strong atop CO adsorption at 2083 cm −1 and a weak but unique peak at 2030 cm −1 .…”
Section: Resultsmentioning
confidence: 99%
“…As the Pd sites are diluted by Sn atoms in Pd 3 Sn 2 ,the bridged CO adsorption peak disappears due to al ack of neighbored Pd sites. [21] Interestingly,t he quenched PdSn nanocatalyst shows as trong atop CO adsorption at 2083 cm À1 and aw eak but unique peak at 2030 cm À1 .O ur density functional theory (DFT) calculations of the vibrational frequencies of CO adsorbed on PdSn(012) suggest the vibration at 2083 and 2030 cm À1 can be assigned to atop CO adsorption and aC O bridged between two surface Pd atoms (see detailed dis- [16] Angewandte Chemie cussion in Figure S15). On the contrary,t he slowly cooled PdSn catalyst shows avery similar CO adsorption peak as the Pd 3 Sn 2 sample.T herefore,w eb elieve that even though the reversion of the slowly/naturally cooled PdSn iNPs to the Pd 3 Sn 2 phase does not complete through the whole nanoparticle,t he structural change likely starts at the catalyst surface where the energy barrier for reconstruction is the lowest.…”
Section: Methodsmentioning
confidence: 99%
“…The intense bands at 2960 and 2860 cm -1 are assigned to methoxy species, while the weak band at 2920 cm -1 is assigned to bidentate formate species, consistent with earlier literature. 33 Note that a second peak typically observed for bound formate species, at around 2860 cm -1 , is obscured by the dominant methoxy band (vide infra). Between 2200 cm -1 and 1200 cm -1 , three kinetically distinct bands are observed, with maxima at 2085 cm -1 , 1920 cm -1 and 1588 cm -1 , which are assigned to terminal CO bound to Pd (μ 1 -CO Pd ), bridging CO species bound to Pd (μ n -CO Pd ), and the OCO asymmetric stretch of formate species bound to metallic sites, respectively.…”
Section: Study Of Bound Surface Adsorbates and Reaction Intermediatesmentioning
confidence: 99%