Egill Skúlason | Scholar Profiles and Rankings

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Catalytic Nitrogen Reduction on the Transition Metal Carbonitride (110) Facet: DFT Predictions and Mechanistic Insights (journal article) Iqbal, Atef \| Skúlason, Egill \| Abghoui, Younes The Journal of Physical Chemistry C, volume 128, issue 25, pages 10300-10307 (2024). 10.1021/acs.jpcc.4c02148 Cite \| Source
Are (100) facets of transition metal carbonitrides suitable as electrocatalysts for nitrogen reduction to ammonia at ambient conditions? (journal article) Iqbal, Atef \| Skúlason, Egill \| Abghoui, Younes International Journal of Hydrogen Energy, volume 64 (2024). 10.1016/j.ijhydene.2024.03.282 Cited by (4) \| Cite \| Source
Calculations of the effect of catalyst size and structure on the electrocatalytic reduction of CO2 on Cu nanoclusters (journal article) Weal, Geoffrey R. \| Guðmundsson, Kristinn Ingi \| Mackenzie, Frank D. \| Whiting, John R. \| Smith, Nicholas B. \| Skúlason, Egill \| Garden, Anna L. Nanoscale, volume 16, issue 10, pages 5242-5256 (2024). 10.1039/D3NR04956F Cited by (2) \| Cite \| Source
Mechanistic Insights in the Catalytic Hydrogenation of CO2 over Pt Nanoparticles in UiO-67 Metal–Organic Frameworks (journal article) Pulumati, Sri Harsha \| Sannes, Dag Kristian \| Jabbour, Christia R. \| Mandemaker, Laurens D. B. \| Weckhuysen, Bert M. \| Olsbye, Unni \| Nova, Ainara \| Skúlason, Egill ACS Catalysis, volume 14, issue 1, pages 382-394 (2024). 10.1021/acscatal.3c03401 Cited by (1) \| Cite \| Source
Electrochemical Analysis on Transition Metal Nitride Catalysts for Nitrogen Reduction Reaction (journal article) Flosadóttir, Helga Dögg \| Hanifpour, Ása \| Skulason, Egill ECS Meeting Abstracts, volume MA2023-02, issue 54, pages 2605-2605 (2023). 10.1149/MA2023-02542605mtgabs Cite \| Source
Nitrogen Reduction Reaction to Ammonia on Transition Metal Carbide Catalysts (journal article) Ellingsson, Viktor \| Iqbal, Atef \| Skúlason, Egill \| Abghoui, Younes ChemSusChem, volume 16, issue 22 (2023). 10.1002/cssc.202300947 Cited by (9) \| Cite \| Source
Elucidating the Active Sites and Synergies in Water Splitting on Manganese Oxide Nanosheets on Graphite Support (journal article) Schmidt, Thorsten O. \| Wark, André \| Haid, Richard W. \| Kluge, Regina M. \| Suzuki, Shinya \| Kamiya, Kazuhide \| Bandarenka, Aliaksandr S. \| Maruyama, Jun \| Skúlason, Egill Advanced Energy Materials, volume 13, issue 43 (2023). 10.1002/aenm.202302039 Cited by (2) \| Cite \| Source
High-throughput computational screening of doped transition metal oxides as catalysts for nitrogen reduction (journal article) Höskuldsson, Árni Björn \| Dang, Thang \| Sakai, Yasufumi \| Ishikawa, Atsushi \| Skúlason, Egill Cell Reports Physical Science, volume 4, issue 10, pages 101595- (2023). 10.1016/j.xcrp.2023.101595 Cited by (2) \| Cite \| Source
Electrochemical CO2 reduction towards formic acid and methanol on transition metal oxide surfaces as a function of CO coverage (journal article) Atrak, Narges \| Tayyebi, Ebrahim \| Skúlason, Egill Catalysis Science & Technology, volume 13, issue 11, pages 3321-3336 (2023). 10.1039/D2CY02175G Cited by (4) \| Cite \| Source
Insight into Catalytic Active Sites on TiO2 /RuO2 and SnO2 /RuO2 Alloys for Electrochemical CO2 Reduction to CO and Formic Acid (journal article) Atrak, Narges \| Tayyebi, Ebrahim \| Skúlason, Egill ACS Catalysis, volume 13, issue 8, pages 5491-5501 (2023). 10.1021/acscatal.3c00450 Cited by (11) \| Cite \| Source
The role of overlayered nitride electro-materials for N2 reduction to ammonia (journal article) Abghoui, Younes \| Iqbal, Atef \| Skúlason, Egill Frontiers in Catalysis, volume 2 (2023). 10.3389/fctls.2022.1096824 Cited by (10) \| Cite \| Source
Self-Supervised Learning with Atom Replacement for Catalyst Energy Prediction by Graph Neural Networks (journal article) Sakai, Yasufumi \| Dang, Thang \| Fukuta, Shigeki \| Shirahata, Koichi \| Ishikawa, Atsushi \| Inoue, Atsuki \| Kawaguchi, Hiroshi \| Höskuldsson, Árni Björn \| Skúlason, Egill Procedia Computer Science, volume 222 (2023). 10.1016/j.procs.2023.08.184 Cited by (1) \| Cite \| Source
Operando quantification of ammonia produced from computationally-derived transition metal nitride electro-catalysts (journal article) Hanifpour, Fatemeh \| Canales, Camila P. \| Fridriksson, Emil G. \| Sveinbjörnsson, Arnar \| Tryggvason, Tryggvi K. \| Yang, Jian \| Arthur, Connel \| Jónsdóttir, Sigríður \| Garden, Anna L. \| Ólafsson, Sveinn \| ... \| Skúlason, Egill Journal of Catalysis, volume 413 (2022). 10.1016/j.jcat.2022.07.030 Cited by (15) \| Cite \| Source
Demonstration of no catalytical activity of Fe‐N‐C and Nb‐N‐C electrocatalysts toward nitrogen reduction using in‐line quantification (journal article) Sveinbjörnsson, Arnar \| Gunnarsdóttir, Anna Bergljót \| Creel, Erin B. \| Canales, Camila Pía \| Zulevi, Barr \| Lyu, Xiang \| Jafta, Charl J. \| Skúlason, Egill \| Serov, Alexey \| Flosadóttir, Helga Dögg SusMat, volume 2, issue 4, pages 476-486 (2022). 10.1002/sus2.81 Cited by (15) \| Cite \| Source
Perspectives on the Competition between the Electrochemical Water and N2 Oxidation on a TiO2 (110) Electrode (journal article) Tayyebi, Ebrahim \| Höskuldsson, Árni Björn \| Wark, André \| Atrak, Narges \| Comer, Benjamin M. \| Medford, Andrew James \| Skúlason, Egill The Journal of Physical Chemistry Letters, volume 13, issue 26, pages 6123-6129 (2022). 10.1021/acs.jpclett.2c00769 Cited by (12) \| Cite \| Source
C3 production from CO2 reduction by concerted CO trimerization on a single-atom alloy catalyst (journal article) Chen, Ling \| Tang, Cheng \| Zheng, Yao \| Skúlason, Egill \| Jiao, Yan* Journal of Materials Chemistry A, volume 10, issue 11, pages 5998-6006 (2022). 10.1039/D1TA09608G Cited by (26) \| Cite \| Source
Optimizing Nitrogen Reduction Reaction on Nitrides: A Computational Study on Crystallographic Orientation (journal article) Gudmundsson, Matthías \| Ellingsson, Viktor \| Skúlason, Egill \| Abghoui, Younes Topics in Catalysis, volume 65, issue 1-4, pages 252-261 (2022). 10.1007/s11244-021-01485-2 Cited by (17) \| Cite \| Source
Investigation into the mechanism of electrochemical nitrogen reduction reaction to ammonia using niobium oxynitride thin-film catalysts (journal article) Hanifpour, Fatemeh \| Canales, Camila P. \| Fridriksson, Emil G. \| Sveinbjörnsson, Arnar \| Tryggvason, Tryggvi K. \| Lewin, Erik \| Magnus, Fridrik \| Ingason, Árni S. \| Skúlason, Egill \| Flosadóttir, Helga D. Electrochimica Acta, volume 403 (2022). 10.1016/j.electacta.2021.139551 Cited by (27) \| Cite \| Source
Computational examination of the kinetics of electrochemical nitrogen reduction and hydrogen evolution on a tungsten electrode (journal article) Höskuldsson, Árni Björn \| Tayyebi, Ebrahim \| Skúlason, Egill Journal of Catalysis, volume 404 (2021). 10.1016/j.jcat.2021.10.017 Cited by (14) \| Cite \| Source
Effect of co-adsorbed water on electrochemical CO2 reduction reaction on transition metal oxide catalysts (journal article) Atrak, Narges \| Tayyebi, Ebrahim \| Skúlason, Egill Applied Surface Science, volume 570 (2021). 10.1016/j.apsusc.2021.151031 Cited by (8) \| Cite \| Source