scholarly journals Intermetallic Compounds as an Alternative to Single‐atom Alloy Catalysts: Geometric and Electronic Structures from Advanced X‐ray Spectroscopies and Computational Studies

ChemCatChem ◽  
2020 ◽  
Vol 12 (5) ◽  
pp. 1325-1333 ◽  
Author(s):  
Evan C. Wegener ◽  
Brandon C. Bukowski ◽  
Dali Yang ◽  
Zhenwei Wu ◽  
A. Jeremy Kropf ◽  
...  
Keyword(s):  
Intermetallic Compounds ◽  
Electronic Structures ◽  
Single Atom ◽  
Computational Studies ◽  
X Ray ◽  
Alloy Catalysts ◽  
Single Atom Alloy

scholarly journals Free-atom-like d states in single-atom alloy catalysts

2018 ◽  
Vol 10 (10) ◽  
pp. 1008-1015 ◽  
Author(s):  
M. T. Greiner ◽  
T. E. Jones ◽  
S. Beeg ◽  
L. Zwiener ◽  
M. Scherzer ◽  
...  
Keyword(s):  
Free Atom ◽  
Single Atom ◽  
Alloy Catalysts ◽  
Single Atom Alloy

Electronic Structures of Non-Pt Carbon Alloy Catalysts for Polymer Electrolyte Membrane Fuel Cells Revealed by Synchrotron Radiation Analyses

2011 ◽  
Vol 1318 ◽  
Author(s):  
Masaharu Oshima ◽  
Hideharu Niwa ◽  
Makoto Saito ◽  
Masaki. Kobayashi ◽  
Koji Horiba ◽  
...  
Keyword(s):  
Fuel Cells ◽  
Polymer Electrolyte ◽  
Active Site ◽  
Electronic Structures ◽  
Polymer Electrolyte Membrane ◽  
Pt Catalysts ◽  
X Ray ◽  
Electrolyte Membrane ◽  
X Ray Absorption ◽  
Alloy Catalysts

ABSTRACTThe oxygen reduction reaction (ORR) mechanism of non-Pt catalysts was elucidated by investigating electronic structures of carbon alloy catalysts (CACs) for polymer electrolyte membrane fuel cells (PEMFC). For metal phthalocyanine-based carbon alloy catalysts with 1-2% of nitrogen and less than 0.1% of Co or Fe, photoelectron spectroscopy, X-ray absorption spectroscopy (XAS), and X-ray Absorption Fine Structure (XAFS) have revealed that Co or Fe metal sites are not the ORR active site, whereas the carbon atoms adjacent to graphitic nitrogens at a zigzag edge of graphite may act as the ORR active site, which is in good agreement with first principles calculations. These studies have also revealed that the zigzag edges, detected as a XAS shoulder component, are well evolved for catalysts pyrolyzed at 600°C, which show the maximum ORR activity. Based on these analyses, we have realized significantly improved carbon alloy based ORR performance, up to about 70 % of that with Pt catalysts. Further, to analyze the electronic structure of CACs during operation, we constructed a new in situ soft X-ray emission spectroscopy system with very high energy resolution (ΔE) of 120 meV at 640 eV at the University of Tokyo beamline BL07LSU in SPring-8.

scholarly journals Catalytic activity, thermal stability and structural evolution of PdCu single-atom alloy catalysts: the effects of size and morphology

RSC Advances ◽  
2022 ◽  
Vol 12 (1) ◽  
pp. 62-71
Author(s):  
Qing Liu ◽  
Xiaoxu Wang ◽  
Lu Li ◽  
Keke Song ◽  
Yanzhou Wang ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Catalytic Activity ◽  
Catalytic Properties ◽  
Structural Evolution ◽  
Md Simulations ◽  
Single Atom ◽  
Structure Evolution ◽  
Size And Morphology ◽  
Alloy Catalysts ◽  
Single Atom Alloy

Catalytic properties and structure evolution of a PdCu nanoalloy with a novel crown-jewel structure are explored using DFT calculations and MD simulations.

Machine Learning-Aided Identification of Single Atom Alloy Catalysts

2020 ◽  
Vol 124 (26) ◽  
pp. 14158-14166 ◽  
Author(s):  
Aparajita Dasgupta ◽  
Yingjie Gao ◽  
Scott R. Broderick ◽  
E. Bruce Pitman ◽  
Krishna Rajan
Keyword(s):  
Machine Learning ◽  
Single Atom ◽  
Alloy Catalysts ◽  
Single Atom Alloy

Atomically dispersed Pd catalysts promote the oxygen evolution reaction in acidic media

2021 ◽  
Author(s):  
Fengjuan Qin ◽  
Danni Zhou ◽  
Mengru Sun ◽  
Wenjing Xu ◽  
Hao Tang ◽  
...  
Keyword(s):  
High Activity ◽  
Hydrothermal Method ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Single Atom ◽  
Acidic Media ◽  
Pd Catalysts ◽  
Alloy Catalysts ◽  
Excellent Stability ◽  
Single Atom Alloy

Pd–Pt3Sn single-atom alloy catalysts prepared via a hydrothermal method have high activity and excellent stability in acidic media compared with commercial IrO2.

Palladium–gold single atom alloy catalysts for liquid phase selective hydrogenation of 1-hexyne

2017 ◽  
Vol 7 (19) ◽  
pp. 4276-4284 ◽  
Author(s):  
Jilei Liu ◽  
Junjun Shan ◽  
Felicia R. Lucci ◽  
Sufeng Cao ◽  
E. Charles H. Sykes ◽  
...  
Keyword(s):  
Liquid Phase ◽  
Selective Hydrogenation ◽  
Single Atom ◽  
Mild Conditions ◽  
Alloy Catalysts ◽  
Single Atom Alloy ◽  
Single Atom Alloys

Silica supported and unsupported PdAu single atom alloys (SAAs) were investigated for the selective hydrogenation of 1-hexyne to hexenes under mild conditions.

Ethane dehydrogenation over the single-atom alloy catalysts: Screening out the excellent catalyst with the dual descriptors

Fuel ◽  
2021 ◽  
Vol 306 ◽  
pp. 121641
Author(s):  
Yuan Zhang ◽  
Baojun Wang ◽  
Maohong Fan ◽  
Debao Li ◽  
Riguang Zhang
Keyword(s):  
Single Atom ◽  
Ethane Dehydrogenation ◽  
Alloy Catalysts ◽  
Single Atom Alloy

scholarly journals Enhanced Stability of Pt-Cu Single-Atom Alloy Catalysts: In Situ Characterization of the Pt/Cu(111) Surface in an Ambient Pressure of CO

2018 ◽  
Vol 122 (8) ◽  
pp. 4488-4495 ◽  
Author(s):  
Juan Pablo Simonovis ◽  
Adrian Hunt ◽  
Robert M. Palomino ◽  
Sanjaya D. Senanayake ◽  
Iradwikanari Waluyo
Keyword(s):  
Ambient Pressure ◽  
Single Atom ◽  
In Situ Characterization ◽  
Alloy Catalysts ◽  
Enhanced Stability ◽  
Single Atom Alloy

Selectivity for ethanol partial oxidation: the unique chemistry of single-atom alloy catalysts on Au, Ag, and Cu(111)

2019 ◽  
Vol 7 (41) ◽  
pp. 23868-23877 ◽  
Author(s):  
Hao Li ◽  
Wenrui Chai ◽  
Graeme Henkelman
Keyword(s):  
Partial Oxidation ◽  
Single Atom ◽  
Highly Active ◽  
Strong Binding ◽  
Alloy Catalysts ◽  
Single Atom Alloy

Doping of a strong-binding single-atom element into inert close-packed substrates leads to highly active and selective initial dehydrogenation at the α-C–H site of adsorbed ethanol.

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