Improved HER activity of Ni and stainless steel electrodes activated by NiCoMo ionic activator - A combined DFT and experimental study
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2017
Authors
Maslovara, Slađana Lj.Vasić Anićijević, Dragana D.
Kijevčanin, Mirjana Lj.
Radović, Ivona R.
Nikolić, Vladimir M.
Laušević, Petar
Marčeta Kaninski, Milica
Article (Published version)
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In this paper we discussed various factors contributing to the improvement of hydrogen evolution reaction (HER) activity of Ni and stainless steel electrodes activated by in situ addition of NiCoMo activators, using a combination of experimental techniques and DFT calculations. By comparing energy consumption of stainless steel (SS) electrodes in a lab scale alkaline electrolyzer with and without ionic activation, we obtained reduction of energy consumption by 21% at industrial conditions (high current density and temperature). We recorded U-I curves for activated and non-activated stainless steel electrodes in the current density range from 40 to 500 mA cm(2) and in the temperature range 298-343 K, and the obtained results were used in an electrochemical model of the laboratory alkaline electrolyzer. Increase of the electrode surface upon addition of ionic activators was confirmed by profilometric measurements and SEM analysis. Finally, we applied density functional theory (DFT) to di...scuss partial roles of applied ionic activators (Ni, Co and Mo) in the modification and improvement of the intrinsic properties of the cathode towards the HER in alkaline medium. From the combination of profilometric, SEM and DFT results, we conclude that the main factor contributing to the improvement of HER activity of Ni electrodes upon NiCoMo activation is the increase of electrode surface area. (C) 2017 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
Keywords:
Alkaline water electrolysis / In-situ activation / Ionic activators / Electrocatalysis / HERSource:
International Journal of Hydrogen Energy, 2017, 42, 8, 5072-5082Funding / projects:
- Hydrogen Energy - Research and Development of New Materials: Electrolytic Hydrogen Production, Hydrogen Fuel Cells, Isotope Effects (RS-MESTD-Basic Research (BR or ON)-172045)
DOI: 10.1016/j.ijhydene.2016.12.116
ISSN: 0360-3199; 1879-3487
WoS: 000403852600035
Scopus: 2-s2.0-85009812175
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VinčaTY - JOUR AU - Maslovara, Slađana Lj. AU - Vasić Anićijević, Dragana D. AU - Kijevčanin, Mirjana Lj. AU - Radović, Ivona R. AU - Nikolić, Vladimir M. AU - Laušević, Petar AU - Marčeta Kaninski, Milica PY - 2017 UR - https://vinar.vin.bg.ac.rs/handle/123456789/1610 AB - In this paper we discussed various factors contributing to the improvement of hydrogen evolution reaction (HER) activity of Ni and stainless steel electrodes activated by in situ addition of NiCoMo activators, using a combination of experimental techniques and DFT calculations. By comparing energy consumption of stainless steel (SS) electrodes in a lab scale alkaline electrolyzer with and without ionic activation, we obtained reduction of energy consumption by 21% at industrial conditions (high current density and temperature). We recorded U-I curves for activated and non-activated stainless steel electrodes in the current density range from 40 to 500 mA cm(2) and in the temperature range 298-343 K, and the obtained results were used in an electrochemical model of the laboratory alkaline electrolyzer. Increase of the electrode surface upon addition of ionic activators was confirmed by profilometric measurements and SEM analysis. Finally, we applied density functional theory (DFT) to discuss partial roles of applied ionic activators (Ni, Co and Mo) in the modification and improvement of the intrinsic properties of the cathode towards the HER in alkaline medium. From the combination of profilometric, SEM and DFT results, we conclude that the main factor contributing to the improvement of HER activity of Ni electrodes upon NiCoMo activation is the increase of electrode surface area. (C) 2017 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved. T2 - International Journal of Hydrogen Energy T1 - Improved HER activity of Ni and stainless steel electrodes activated by NiCoMo ionic activator - A combined DFT and experimental study VL - 42 IS - 8 SP - 5072 EP - 5082 DO - 10.1016/j.ijhydene.2016.12.116 ER -
@article{ author = "Maslovara, Slađana Lj. and Vasić Anićijević, Dragana D. and Kijevčanin, Mirjana Lj. and Radović, Ivona R. and Nikolić, Vladimir M. and Laušević, Petar and Marčeta Kaninski, Milica", year = "2017", abstract = "In this paper we discussed various factors contributing to the improvement of hydrogen evolution reaction (HER) activity of Ni and stainless steel electrodes activated by in situ addition of NiCoMo activators, using a combination of experimental techniques and DFT calculations. By comparing energy consumption of stainless steel (SS) electrodes in a lab scale alkaline electrolyzer with and without ionic activation, we obtained reduction of energy consumption by 21% at industrial conditions (high current density and temperature). We recorded U-I curves for activated and non-activated stainless steel electrodes in the current density range from 40 to 500 mA cm(2) and in the temperature range 298-343 K, and the obtained results were used in an electrochemical model of the laboratory alkaline electrolyzer. Increase of the electrode surface upon addition of ionic activators was confirmed by profilometric measurements and SEM analysis. Finally, we applied density functional theory (DFT) to discuss partial roles of applied ionic activators (Ni, Co and Mo) in the modification and improvement of the intrinsic properties of the cathode towards the HER in alkaline medium. From the combination of profilometric, SEM and DFT results, we conclude that the main factor contributing to the improvement of HER activity of Ni electrodes upon NiCoMo activation is the increase of electrode surface area. (C) 2017 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.", journal = "International Journal of Hydrogen Energy", title = "Improved HER activity of Ni and stainless steel electrodes activated by NiCoMo ionic activator - A combined DFT and experimental study", volume = "42", number = "8", pages = "5072-5082", doi = "10.1016/j.ijhydene.2016.12.116" }
Maslovara, S. Lj., Vasić Anićijević, D. D., Kijevčanin, M. Lj., Radović, I. R., Nikolić, V. M., Laušević, P.,& Marčeta Kaninski, M.. (2017). Improved HER activity of Ni and stainless steel electrodes activated by NiCoMo ionic activator - A combined DFT and experimental study. in International Journal of Hydrogen Energy, 42(8), 5072-5082. https://doi.org/10.1016/j.ijhydene.2016.12.116
Maslovara SL, Vasić Anićijević DD, Kijevčanin ML, Radović IR, Nikolić VM, Laušević P, Marčeta Kaninski M. Improved HER activity of Ni and stainless steel electrodes activated by NiCoMo ionic activator - A combined DFT and experimental study. in International Journal of Hydrogen Energy. 2017;42(8):5072-5082. doi:10.1016/j.ijhydene.2016.12.116 .
Maslovara, Slađana Lj., Vasić Anićijević, Dragana D., Kijevčanin, Mirjana Lj., Radović, Ivona R., Nikolić, Vladimir M., Laušević, Petar, Marčeta Kaninski, Milica, "Improved HER activity of Ni and stainless steel electrodes activated by NiCoMo ionic activator - A combined DFT and experimental study" in International Journal of Hydrogen Energy, 42, no. 8 (2017):5072-5082, https://doi.org/10.1016/j.ijhydene.2016.12.116 . .
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