Platinum-tin-alumina bimetallic catalysts prepared by solvated metal atom dispersion (SMAD). Synthesis and catalytic performance

Langmuir ◽  
1987 ◽  
Vol 3 (4) ◽  
pp. 558-562 ◽  
Author(s):  
Yong Xi. Li ◽  
Kenneth J. Klabunde
Keyword(s):  
Metal Atom ◽  
Bimetallic Catalysts ◽  
Catalytic Performance ◽  
Solvated Metal Atom Dispersion

scholarly journals High-throughput computational-experimental screening protocol for the discovery of bimetallic catalysts

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Byung Chul Yeo ◽  
Hyunji Nam ◽  
Hyobin Nam ◽  
Min-Cheol Kim ◽  
Hong Woo Lee ◽  
...  
Keyword(s):  
High Throughput ◽  
Bimetallic Catalysts ◽  
High Throughput Screening ◽  
Direct Synthesis ◽  
Catalytic Performance ◽  
Platinum Group Metals ◽  
Pt Catalyst ◽  
Electronic Density ◽  
Bimetallic Alloy ◽  
Screening Protocol

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.

scholarly journals Highly dispersed Pt atoms and clusters on hydroxylated indium tin oxide: A view from first-principles calculations

2021 ◽  
Author(s):  
Simran Kumari ◽  
Philippe Sautet
Keyword(s):  
Heterogeneous Catalysis ◽  
Metal Atom ◽  
Tin Oxide ◽  
Indium Tin Oxide ◽  
First Principles ◽  
Catalytic Performance ◽  
Small Cluster ◽  
Single Atom ◽  
First Principles Calculations ◽  
Highly Dispersed

Supported single-atom and small cluster catalysts have become highly popular in heterogeneous catalysis. These catalysts can maximize the metal atom utilization while still showcasing superior catalytic performance. One of the...

scholarly journals Stability of heterogeneous single-atom catalysts: a scaling law mapping thermodynamics to kinetics

2020 ◽  
Vol 6 (1) ◽  
Author(s):  
Ya-Qiong Su ◽  
Long Zhang ◽  
Yifan Wang ◽  
Jin-Xun Liu ◽  
Valery Muravev ◽  
...  
Keyword(s):  
Metal Atom ◽  
Density Functional ◽  
Activation Barrier ◽  
Scaling Law ◽  
Precious Metals ◽  
Catalytic Performance ◽  
Single Atom ◽  
Atom Diffusion ◽  
Computational Screening ◽  
Metal Support

Abstract Heterogeneous single-atom catalysts (SACs) hold the promise of combining high catalytic performance with maximum utilization of often precious metals. We extend the current thermodynamic view of SAC stability in terms of the binding energy (Ebind) of single-metal atoms on a support to a kinetic (transport) one by considering the activation barrier for metal atom diffusion. A rapid computational screening approach allows predicting diffusion barriers for metal–support pairs based on Ebind of a metal atom to the support and the cohesive energy of the bulk metal (Ec). Metal–support combinations relevant to contemporary catalysis are explored by density functional theory. Assisted by machine-learning methods, we find that the diffusion activation barrier correlates with (Ebind)2/Ec in the physical descriptor space. This diffusion scaling-law provides a simple model for screening thermodynamics to kinetics of metal adatom on a support.

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

2018 ◽  
Vol 96 (4) ◽  
pp. 394-403 ◽  
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.

scholarly journals Hydrocracking of Calophyllum inophyllum Oil Employing Co and/or Mo Supported on γ-Al2O3 for Biofuel Production

2020 ◽  
Vol 15 (3) ◽  
pp. 743-751
Author(s):  
Wega Trisunaryanti ◽  
Triyono Triyono ◽  
Mohammad Ali Ghoni ◽  
Dyah Ayu Fatmawati ◽  
Puspa Nindro Mahayuwati ◽  
...  
Keyword(s):  
Bimetallic Catalysts ◽  
Metal Content ◽  
Liquid Fraction ◽  
Catalytic Performance ◽  
Biofuel Production ◽  
Food Crop ◽  
Wet Impregnation ◽  
Calophyllum Inophyllum ◽  
High Metal ◽  
Calophyllum Inophyllum Oil

Cobalt and/or Molybdenum based catalysts were simply dispersed on γ-Al2O3 through wet impregnation. The set of prepared monometallic and bimetallic catalysts of aCoO/γ-Al2O3, aMoO/γ-Al2O3, aCoOaMoO/γ-Al2O3, and bCoObMoO/γ-Al2O3 were investigated and evaluated in the hydrocracking of Calophyllum inophyllum (CIO) which is not a food crop as well as rich in unsaturated fatty acid that potential to be converted into biofuel. Out of the prepared catalysts, aCoOaMoO/γ-Al2O3 with total   metal content, acidity, and specific surface area of 13.62 wt%, 5.01 mmol.g-1, and 107.67 m2.g-1, respectively, showed the best catalytic performance. The high metal loading of aCoOaMoO/γ-Al2O3 is favorable by producing 65.56 wt% liquid fraction through carbocation formation mechanism. It was selective to produce 8.61 wt% gasoline and 5.01 wt% diesel. Copyright © 2020 BCREC Group. All rights reserved 

scholarly journals Synthesis of Pd-M@HCS(M = Co, Ni, Cu) Bimetallic Catalysts and Their Catalytic Performance for Direct Synthesis of H2O2

Catalysts ◽  
2020 ◽  
Vol 10 (3) ◽  
pp. 303
Author(s):  
Yaodan Wang ◽  
Hongyan Pan ◽  
Qian Lin ◽  
Yongyong Shi ◽  
Jiesong Zhang
Keyword(s):  
Bimetallic Catalysts ◽  
Direct Synthesis ◽  
Catalytic Performance ◽  
Carbon Sphere ◽  
Shell Layer ◽  
Pd Nanoparticle ◽  
Catalytic Activities ◽  
The Core ◽  
Economic Process ◽  
Hollow Carbon

Hydrogen peroxide (H2O2), as a clean and green oxidant, is widely used in many fields. The direct synthesis of H2O2 (DSHP) from H2 and O2 has attracted most research interest because it relates to a facile, environmentally friendly, and economic process. Yolk–shell Pd-M@HCS (hollow carbon sphere) (M = Co, Ni, Cu) nanocatalysts, in which the bimetal nanoparticle is the core and porous carbon works as the shell layer, are reported in this work. It was found that catalytic activities were enhanced because of the introduced M metals. Additionally, the different mass ratios of Pd to Co (mPd/mCo) were further investigated to improve the catalytic performance for the DSHP. When mPd/mCo was 4.4, the prepared Pd-Co@HCS-(4.4) catalyst, with an average Pd nanoparticle size of 7.30 nm, provided the highest H2O2 selectivity of 87% and H2O2 productivity of 1996 mmolgPd−1·h−1, which were increased by 24% and 253%, respectively, compared to Pd@HCS.

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