RT journal article
T1 A MOF-supported Pd1–Au1 dimer catalyses the semihydrogenation reaction of acetylene in ethylene with a nearly barrierless activation energy
A1 Ballesteros Soberanas, Jordi
A1 Martín, Nuria
A1 Bacic, Matea
A1 Tiburcio, Estefanía
A1 Mon, Marta
A1 Hernández Garrido, Juan Carlos
A1 Marini, Carlo
A1 Boronat, Mercedes
A1 Ferrando Soria, Jesús
A1 Armentano, Donatella
A1 Pardo, Emilio
A1 Leyva Pérez, Antonio
A2 Ciencia de los Materiales e Ingeniería Metalúrgica y Química Inorgánica
AB The removal of acetylene from ethylene streams is key in industry formanufacturing polyethylene. Here we show that a well-defned Pd1–Au1dimer, anchored to the walls of a metal–organic framework (MOF), catalysesthe selective semihydrogenation of acetylene to ethylene with ≥99.99%conversion (≤1 ppm of acetylene) and >90% selectivity in extremely richethylene streams (1% acetylene, 89% ethylene, 10% H2, simulated industrialfront-end reaction conditions). The reaction proceeds with an apparentactivation energy of ∼1 kcal mol–1, working even at 35 °C, and withoperational windows (>100 °C) and weight hourly space velocities(66,000 ml g−1cat h−1) within industrial specifcations. A combinedexperimental and computational mechanistic study shows the cooperativitybetween both atoms, and between atoms and support, to enable thebarrierless semihydrogenation of acetylene.
PB Nature Research
SN 2520-1158
YR 2024
FD 2024
LK http://hdl.handle.net/10498/33694
UL http://hdl.handle.net/10498/33694
LA eng
DS Repositorio Institucional de la Universidad de Cádiz
RD 08-nov-2026