C2 Oxygenates Formation from Syngas over the Cu-Rich and Rh-Rich Surfaces of Rh-Cu Bimetallic Catalysts: Probing into the Effects of the Surface Structure and Composition on the Catalytic Performance

AbstractTo accelerate the discovery of materials through computations and experiments, a well-established protocol closely bridging these methods is required. We introduce a high-throughput screening protocol for the discovery of bimetallic catalysts that replace palladium (Pd), where the similarities in the electronic density of states patterns were employed as a screening descriptor. Using first-principles calculations, we screened 4350 bimetallic alloy structures and proposed eight candidates expected to have catalytic performance comparable to that of Pd. Our experiments demonstrate that four bimetallic catalysts indeed exhibit catalytic properties comparable to those of Pd. Moreover, we discover a bimetallic (Ni-Pt) catalyst that has not yet been reported for H2O2 direct synthesis. In particular, Ni61Pt39 outperforms the prototypical Pd catalyst for the chemical reaction and exhibits a 9.5-fold enhancement in cost-normalized productivity. This protocol provides an opportunity for the catalyst discovery for the replacement or reduction in the use of the platinum-group metals.

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Surface structure modulating of Ni-Pt bimetallic catalysts boosts n-dodecane steam reforming

Applied Catalysis B Environmental ◽

10.1016/j.apcatb.2021.120670 ◽

2021 ◽

Vol 299 ◽

pp. 120670

Author(s):

Ling Li ◽

Ajin Cheruvathur ◽

Shouwei Zuo ◽

Pengfei An ◽

Fang Hou ◽

...

Keyword(s):

Surface Structure ◽

Steam Reforming ◽

Bimetallic Catalysts

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Tuning the surface structure and catalytic performance of PdIn/Al2O3 in selective liquid-phase hydrogenation by mild oxidative-reductive treatments

Mendeleev Communications ◽

10.1016/j.mencom.2018.11.013 ◽

2018 ◽

Vol 28 (6) ◽

pp. 603-605 ◽

Cited By ~ 9

Author(s):

Igor S. Mashkovsky ◽

Nadezhda S. Smirnova ◽

Pavel V. Markov ◽

Galina N. Baeva ◽

Galina O. Bragina ◽

...

Keyword(s):

Liquid Phase ◽

Surface Structure ◽

Catalytic Performance ◽

Liquid Phase Hydrogenation

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Surface Structure and Catalytic Performance of CuCl/SiO2-Al2O3 Catalysts for Methanol Oxidative Carbonylation

Chinese Journal of Catalysis ◽

10.1016/s1872-2067(08)60063-7 ◽

2008 ◽

Vol 29 (7) ◽

pp. 643-648 ◽

Cited By ~ 18

Author(s):

Zhong LI ◽

Fanhui MENG ◽

Jun REN ◽

Huayan ZHENG ◽

Kechang XIE

Keyword(s):

Surface Structure ◽

Catalytic Performance ◽

Oxidative Carbonylation

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Silica-supported Cu–Pt bimetallic catalysts for liquid-phase diethyl oxalate hydrogenation

Canadian Journal of Chemistry ◽

10.1139/cjc-2017-0547 ◽

2018 ◽

Vol 96 (4) ◽

pp. 394-403 ◽

Cited By ~ 4

Author(s):

Wei Long ◽

Pingle Liu ◽

Yang Lv ◽

Wei Xiong ◽

Fang Hao ◽

...

Keyword(s):

Liquid Phase ◽

Photoelectron Spectroscopy ◽

Bimetallic Catalysts ◽

Nitrogen Adsorption ◽

Hydrogen Uptake ◽

Copper Catalysts ◽

Catalytic Performance ◽

Diethyl Oxalate ◽

Hydrogen Chemisorption ◽

Adsorption Desorption

Silica-supported copper catalysts were prepared by different methods, and Cu/SiO2 prepared by the urea-assisted gel method was modified with co-catalyst platinum to obtain Cu-Pt/SiO2 bimetallic catalysts. The prepared catalysts were characterized by nitrogen adsorption–desorption, XRD, TEM, hydrogen chemisorption, ammonia gas chemisorption, and X-ray photoelectron spectroscopy. The characterization results show that the modification of platinum is helpful to the reduction and dispersion of copper species, which increase the hydrogen uptake quantity and metal surface area. The 30%Cu–3.0%Pt/SiO2-6 presents the best catalytic performance in liquid-phase diethyl oxalate hydrogenation; it gives 77.32% conversion of diethyl oxalate and 94.37% selectivity to the main products under 473 K and 3.0 MPa for 4 h. A possible reaction route was also proposed.

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