| Title |
Modelling of surface segregation for palladium alloys in vacuum and gas environments |
| ID_Doc |
64345 |
| Authors |
Zhao, M; Sloof, WG; Böttger, AJ |
| Title |
Modelling of surface segregation for palladium alloys in vacuum and gas environments |
| Year |
2018 |
| Published |
International Journal Of Hydrogen Energy, 43, 4 |
| DOI |
10.1016/j.ijhydene.2017.12.039 |
| Abstract |
Surface segregation of a series of forty Palladium-based binary alloys has been investigated using a thermodynamic model based on an atom exchange approach. Their surface segregation behaviour, both in vacuum and in gas environments, were comprehensively estimated. The calculated results are in good agreement with the available experimental and computational data reported in literatures. Effects of mixing enthalpy, temperature, crystal orientation on the surface, elastic strain energy, adsorption and absorption of gases like H-2, O-2, CO have been discussed in detail. These results can be considered as basic guidelines to design novel Pd alloys for hydrogen separation membranes, sensors or catalysts. The model itself also offers a convenient and accurate routine to predict the surface segregation of other than Pd-based binary alloys in different gas atmospheres. (C) 2017 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved. |
| Author Keywords |
Surface segregation; Thermodynamic modelling; Palladium alloy; Hydrogen separation |
| Index Keywords |
Index Keywords |
| Document Type |
Other |
| Open Access |
Open Access |
| Source |
Science Citation Index Expanded (SCI-EXPANDED) |
| EID |
WOS:000424725100027 |
| WoS Category |
Chemistry, Physical; Electrochemistry; Energy & Fuels |
| Research Area |
Chemistry; Electrochemistry; Energy & Fuels |
| PDF |
https://repository.tudelft.nl/file/File_d582be8f-a3f7-4dfc-9861-b9fb12719e79
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