Ab initio investigation of the role of transition-metal dopants in the adsorption properties of ethylene glycol on doped Pt(100) surfaces

2020 ◽  
Vol 22 (31) ◽  
pp. 17646-17658
Author(s):  
Raquel C. Bezerra ◽  
Paulo C. D. Mendes ◽  
Raimundo R. Passos ◽  
Juarez L. F. Da Silva
Keyword(s):  
Fuel Cells ◽  
Transition Metal ◽  
Ethylene Glycol ◽  
Ab Initio ◽  
Metal Surfaces ◽  
Adsorption Properties ◽  
Direct Alcohol Fuel Cells ◽  
Alcohol Fuel ◽  
Transition Metal Surfaces

Ethylene glycol (EG) has been considered as a promising alcohol for direct alcohol fuel cells. In this study, we develop an atomistic understanding of its interaction with doped transition-metal surfaces.

Trends in water-promoted oxygen dissociation on the transition metal surfaces from first principles

2017 ◽  
Vol 19 (3) ◽  
pp. 2364-2371 ◽  
Author(s):  
Ming Yan ◽  
Zheng-Qing Huang ◽  
Yu Zhang ◽  
Chun-Ran Chang
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Metal Surfaces ◽  
Oxygen Dissociation ◽  
Transition Metal Surfaces

The trend of O2 dissociation on the nine transition metal surfaces and the promotional role of water were systematically investigated.

scholarly journals Towards understanding the role of carbon atoms on transition metal surfaces: Implications for catalysis

2020 ◽  
Vol 513 ◽  
pp. 145765
Author(s):  
Biel Martínez ◽  
Oriol Piqué ◽  
Hèctor Prats ◽  
Francesc Viñes ◽  
Francesc Illas
Keyword(s):  
Transition Metal ◽  
Metal Surfaces ◽  
Transition Metal Surfaces

scholarly journals Electro-oxidation of ethylene glycol and glycerol at palladium-decorated FeCo@Fe core–shell nanocatalysts for alkaline direct alcohol fuel cells: functionalized MWCNT supports and impact on product selectivity

2015 ◽  
Vol 3 (13) ◽  
pp. 7145-7156 ◽  
Author(s):  
Omobosede O. Fashedemi ◽  
Hamish A. Miller ◽  
Andrea Marchionni ◽  
Francesco Vizza ◽  
Kenneth I. Ozoemena
Keyword(s):  
Fuel Cells ◽  
Ethylene Glycol ◽  
Core Shell ◽  
Product Selectivity ◽  
Direct Alcohol Fuel Cells ◽  
Alcohol Fuel ◽  
Electro Oxidation ◽  
Excellent Selectivity

FeCo@Fe@Pd nanocatalyst exhibits excellent selectivity towards the oxidation of EG and glycerol in ADAFCs.

scholarly journals Electrooxidation in Alkaline Media of Ethylene Glycol and Glycerol on Pd-(Ni-Zn)/C Anodes in Direct Alcohol Fuel Cells

ChemSusChem ◽  
2013 ◽  
Vol 6 (3) ◽  
pp. 390-390 ◽  
Author(s):  
Andrea Marchionni ◽  
Manuela Bevilacqua ◽  
Claudio Bianchini ◽  
Yan-Xin Chen ◽  
Jonathan Filippi ◽  
...  
Keyword(s):  
Fuel Cells ◽  
Ethylene Glycol ◽  
Alkaline Media ◽  
Direct Alcohol Fuel Cells ◽  
Alcohol Fuel

Formation of carbyne and graphyne on transition metal surfaces

Nanoscale ◽  
2014 ◽  
Vol 6 (21) ◽  
pp. 12727-12731 ◽  
Author(s):  
Qinghong Yuan ◽  
Feng Ding
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Metal Surfaces ◽  
Active Catalyst ◽  
Transition Metal Surfaces ◽  
Catalyst Surfaces

Formation of carbyne and graphyne on less active catalyst surfaces, such as Cu, Ni, Au, and Ag, is predicted by ab initio calculations.

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