Younes Abghoui
University of Iceland
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Publication
Featured researches published by Younes Abghoui.
international conference on conceptual structures | 2015
Younes Abghoui; Egill Skúlasson
Computational screening for catalysts that are stable, active and selective towards electrochemical reduction of nitrogen to ammonia at room temperature and ambient pressure is presented from a range of transition metal nitride surfaces. Density functional theory (DFT) calculations are used to study the thermochemistry of cathode reaction so as to construct the free energy profile and to predict the required onset potential via the Mars-van Krevelen mechanism. Stability of the surface vacancy as well as the poisoning possibility of these catalysts under operating conditions are also investigated towards catalyst engineering for sustainable ammonia formation. The most promising candidates turned out to be the (100) facets of rocksalt structure of VN, CrN, NbN and ZrN that should be able to form ammonia at -0.51V, -0.76V, -0.65V and -0.76V vs. SHE, respectively. Another interesting result of the current work is that for the introduced nitride candidates, hydrogen evolution is no longer the competing reaction; thus, high formation yield of ammonia is expected at low onset potentials.
Physical Chemistry Chemical Physics | 2015
Younes Abghoui; Anna L. Garden; Valtýr Freyr Hlynsson; Snædís Björgvinsdóttir; Hrefna Ólafsdóttir; Egill Skúlason
ACS Catalysis | 2016
Younes Abghoui; Anna L. Garden; Jakob Geelmuyden Howalt; Tejs Vegge; Egill Skúlason
Catalysis Today | 2017
Younes Abghoui; Egill Skúlason
Catalysis Today | 2017
Younes Abghoui; Egill Skúlason
Journal of Physical Chemistry C | 2017
Younes Abghoui; Egill Skúlason
Journal of Physical Chemistry C | 2017
Younes Abghoui; Egill Skúlason
ACS Sustainable Chemistry & Engineering | 2017
Árni B. Höskuldsson; Younes Abghoui; Anna B. Gunnarsdóttir; Egill Skúlason
ACS energy letters | 2018
Erlend Bertheussen; Thomas Vagn Hogg; Younes Abghoui; Albert K. Engstfeld; Ib Chorkendorff; Ifan E. L. Stephens
Journal of Physical Chemistry C | 2018
Ebrahim Tayyebi; Javed Hussain; Younes Abghoui; Egill Skúlason