lattice expansion or electronic structure effect?
Žan Lavrič (Avtor), Janvit Teržan (Avtor), Ana Kroflič (Avtor), Janez Zavašnik (Avtor), Joanna E. Olszówka (Avtor), Štefan Vajda (Avtor), Matej Huš (Avtor), Miha Grilc (Avtor), Blaž Likozar (Avtor)

Povzetek

Our study presents a comprehensive approach for the selective oxidation of glucose to glucaric acid (GA) by heterogeneous catalysis. We have synthesized and characterized Au/ZrO2, AuCu/ZrO2 and AuPt/ZrO2 catalysts using X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), and oxygen pulse chemisorption (OPS) techniques. Combining experimental observations with in-depth density functional theory (DFT) studies, we found that bimetallic catalysts form alloys, which exhibit different characteristics than monometallic counterparts for the given reaction. We performed batch reactions, varying temperature and oxygen pressure, and used the data to construct a predictive microkinetic model. As it turned out, AuPt/ZrO2 showed the highest selectivity, yielding 32 % of GA at 100 °C and 30 barg O2. Our results provide valuable insights for the developing of efficient catalysts and point out the bottlenecks for the oxidation of glucose to GA.

Ključne besede

kemijska tehnologija;glukoza;katalizatorji;teorija gostotnih funkcionalov;DFT;glucaric acid;glucose oxidation;catalyst characterization;density functional theory;microkinetic modelling;

Podatki

Jezik: Angleški jezik
Leto izida:
Tipologija: 1.01 - Izvirni znanstveni članek
Organizacija: KI - Kemijski inštitut
Založnik: Elsevier
UDK: 66
COBISS: 172057091 Povezava se bo odprla v novem oknu
ISSN: 1873-3883
Št. ogledov: 8
Št. prenosov: 3
Ocena: 0 (0 glasov)
Metapodatki: JSON JSON-RDF JSON-LD TURTLE N-TRIPLES XML RDFA MICRODATA DC-XML DC-RDF RDF

Ostali podatki

Sekundarni jezik: Slovenski jezik
Sekundarni naslov: Selective glucose oxidation to glucaric acid using bimetallic catalysts : lattice expansion or electronic structure effect
Sekundarne ključne besede: kemijska tehnologija;glukoza;katalizatorji;teorija gostotnih funkcionalov;DFT;
Komentar vira: Nasl. z nasl. zaslona; Soavtorji iz Slovenije: Janvit Teržan, Ana Kroflič, Janez Zavašnik, Matej Huš, Miha Grilc, Blaž Likozar; Opis vira z dne 14. 11. 2023;
Strani: str. 1-15
Letnik: ǂVol. ǂ343,
Zvezek: [article no.] 123455
Čas izdaje: Apr. 2024
DOI: 10.1016/j.apcatb.2023.123455
ID: 21493027