scholarly journals NiAu Single Atom Alloys for the Non-oxidative Dehydrogenation of Ethanol to Acetaldehyde and Hydrogen

2018 ◽  
Vol 61 (5-6) ◽  
pp. 475-486 ◽  
Author(s):  
Georgios Giannakakis ◽  
Antonios Trimpalis ◽  
Junjun Shan ◽  
Zhen Qi ◽  
Sufeng Cao ◽  
...  
Keyword(s):  
Oxidative Dehydrogenation ◽  
Single Atom ◽  
Dehydrogenation Of Ethanol ◽  
Single Atom Alloys

Dry Dehydrogenation of Ethanol on Pt–Cu Single Atom Alloys

2017 ◽  
Vol 61 (5-6) ◽  
pp. 328-335 ◽  
Author(s):  
Zhi-Tao Wang ◽  
Robert A. Hoyt ◽  
Mostafa El-Soda ◽  
Robert J. Madix ◽  
Efthimios Kaxiras ◽  
...  
Keyword(s):  
Single Atom ◽  
Dehydrogenation Of Ethanol ◽  
Single Atom Alloys

scholarly journals Tracing the reactivity of single atom alloys for ethanol dehydrogenation using ab initio simulations

2022 ◽  
Author(s):  
Jayendran Iyer ◽  
Fatima Jalid ◽  
Tuhin Suvra Khan ◽  
Mohammad Ali Haider
Keyword(s):  
Kinetic Model ◽  
Ab Initio ◽  
Oxidative Dehydrogenation ◽  
Single Atom ◽  
Ethanol Dehydrogenation ◽  
Ab Initio Simulations ◽  
Single Atom Alloys

An ab initio micro-kinetic model (MKM) is constructed to understand the reactivity trend of single atom alloys (SAAs) of Cu and Au for non-oxidative dehydrogenation (NODH) of ethanol to produce...

Catalytic activity of palladium-doped silver dilute nanoalloys for formate oxidation from a theoretical perspective

2019 ◽  
Vol 21 (40) ◽  
pp. 22598-22610 ◽  
Author(s):  
Nan Zhang ◽  
Fuyi Chen ◽  
Longfei Guo
Keyword(s):  
Catalytic Activity ◽  
Oxidation Reaction ◽  
Theoretical Perspective ◽  
Single Atom ◽  
High Catalytic Activity ◽  
Formate Oxidation ◽  
First Time ◽  
Single Atom Alloys

We demonstrate for the first time that the Pd1Ag single-atom alloys exhibit a high catalytic activity for formate oxidation reaction.

PdCu single atom alloys supported on alumina for the selective hydrogenation of furfural

2021 ◽  
pp. 120652
Author(s):  
Mohammed J. Islam ◽  
Marta Granollers Mesa ◽  
Amin Osatiashtiani ◽  
Jinesh C. Manayil ◽  
Mark A. Isaacs ◽  
...  
Keyword(s):  
Selective Hydrogenation ◽  
Single Atom ◽  
Single Atom Alloys

scholarly journals Dissociation of CHD3 on Cu(111), Cu(211), and single atom alloys of Cu(111)

2018 ◽  
Vol 149 (22) ◽  
pp. 224701 ◽  
Author(s):  
Nick Gerrits ◽  
Davide Migliorini ◽  
Geert-Jan Kroes
Keyword(s):  
Single Atom ◽  
Single Atom Alloys

scholarly journals Influence of incorporating a small amount of silica on the catalytic performance of a MoO3/Al2O3 catalyst in ethanol oxidative dehydrogenation

2018 ◽  
Vol 16 (6) ◽  
Author(s):  
Aline Villarreal ◽  
Gabriella Garbarino ◽  
Paola Riani ◽  
Aida Gutiérrez Alejandre ◽  
Jorge Ramírez ◽  
...  
Keyword(s):  
Oxidative Dehydrogenation ◽  
Active Sites ◽  
Catalytic Performance ◽  
Redox Behavior ◽  
Acid Base ◽  
Pure Alumina ◽  
Molybdenum Catalyst ◽  
Al2o3 Catalyst ◽  
Dehydrogenation Of Ethanol

The influence of incorporating a small amount of silica on the catalytic performance of MoO3/Al2O3 catalyst was studied. Molybdenum supported on pure alumina and 5% SiO2-Al2O3 supports were synthesized. The catalysts were characterized by XRD, Raman, UV-Vis and IR spectroscopies, FE-SEM microscopy, and their activity was evaluated in the oxidative dehydrogenation of ethanol to acetaldehyde. Molybdenum supported on pure alumina gives a 74% yield to acetaldehyde (at 573 K) due to the generation of oxy-dehydrogenation active sites by molybdenum and to the decrement of the alumina dehydration sites. For the molybdenum catalyst supported on silica-containing alumina, the molybdenum species were displaced from the strongest alumina’s acid-base couples, located on nanoparticles edges, corners and defects, to weaker ones located on plane faces causing the rise of weakly bonded species with less active redox behavior.  

scholarly journals When More Is Less: Nonmonotonic Trends in Adsorption on Clusters in Alloy Surfaces

2020 ◽  
Author(s):  
Abigale Monasterial ◽  
Calla Hinderks ◽  
Songkun Viriyavaree ◽  
Matthew Montemore
Keyword(s):  
Hydrogen Adsorption ◽  
Electronic States ◽  
Single Atom ◽  
Surface Site ◽  
Ensemble Size ◽  
Free Standing ◽  
Reactive Metal ◽  
Band Center ◽  
Adsorption Energies ◽  
Single Atom Alloys

<div> <div> <div> <p>Single-atom alloys can be effective catalysts and have been compared to supported single-atom catalysts. To rationally design single-atom alloys and other surfaces with localized ensembles, it is crucial to understand variations in reactivity when varying the dopant and the ensemble size. Here, we examined hydrogen adsorption on surfaces embedded with localized clusters and discovered general trends. Counterintuitively, increasing the amount of a more reactive metal sometimes makes a surface site less reactive. This behavior is due to the localized electronic states in many of these surfaces, making them similar to free-standing nanoclusters. Further, single-atom alloys have qualitatively different behavior than larger ensembles. Specifically, the adsorption energy is U-shaped when plotted against the dopant’s group for single atom alloys. Additionally, adsorption energies on single atom alloys correlate more strongly with the dopant’s p-band center than the d-band center. </p> </div> </div> </div>

scholarly journals Carbon Monoxide Mediated Hydrogen Release from PtCu Single-Atom Alloys: The Punctured Molecular Cork Effect

2019 ◽  
Vol 123 (16) ◽  
pp. 10419-10428 ◽  
Author(s):  
Matthew T. Darby ◽  
Felicia R. Lucci ◽  
Matthew D. Marcinkowski ◽  
Andrew J. Therrien ◽  
Angelos Michaelides ◽  
...  
Keyword(s):  
Carbon Monoxide ◽  
Hydrogen Release ◽  
Single Atom ◽  
Single Atom Alloys
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