Theoretical and experimental investigations of vanadium pentoxide–based electrocatalysts for the hydrogen evolution reaction in alkaline media
<p dir="ltr">A key approach towards better realization of intermittent renewable energy resources, namely, solar and wind, is green electrochemical hydrogen production from water electrolysis. In recent years, there have been increasing efforts aimed at developing noble metal-free el...
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| المؤلف الرئيسي: | |
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| مؤلفون آخرون: | , , , , , |
| منشور في: |
2024
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| _version_ | 1864513543681867776 |
|---|---|
| author | Dima Abu Alhawa (21768260) |
| author2 | Ahmed Badreldin (9574341) Abdellatif El-Ghenymy (17807588) Noor Hassan (4278379) Yiming Wubulikasimu (11084790) Khaled Elsaid (11084793) Ahmed Abdel-Wahab (1748986) |
| author2_role | author author author author author author |
| author_facet | Dima Abu Alhawa (21768260) Ahmed Badreldin (9574341) Abdellatif El-Ghenymy (17807588) Noor Hassan (4278379) Yiming Wubulikasimu (11084790) Khaled Elsaid (11084793) Ahmed Abdel-Wahab (1748986) |
| author_role | author |
| dc.creator.none.fl_str_mv | Dima Abu Alhawa (21768260) Ahmed Badreldin (9574341) Abdellatif El-Ghenymy (17807588) Noor Hassan (4278379) Yiming Wubulikasimu (11084790) Khaled Elsaid (11084793) Ahmed Abdel-Wahab (1748986) |
| dc.date.none.fl_str_mv | 2024-04-15T09:00:00Z |
| dc.identifier.none.fl_str_mv | 10.1007/s42247-024-00679-0 |
| dc.relation.none.fl_str_mv | https://figshare.com/articles/journal_contribution/Theoretical_and_experimental_investigations_of_vanadium_pentoxide_based_electrocatalysts_for_the_hydrogen_evolution_reaction_in_alkaline_media/29625254 |
| dc.rights.none.fl_str_mv | CC BY 4.0 info:eu-repo/semantics/openAccess |
| dc.subject.none.fl_str_mv | Chemical sciences Physical chemistry Engineering Environmental engineering Nanotechnology Hydrogen evolution reaction Vanadium oxide V2O5 DFT Oxygen vacancy Transition metal oxide |
| dc.title.none.fl_str_mv | Theoretical and experimental investigations of vanadium pentoxide–based electrocatalysts for the hydrogen evolution reaction in alkaline media |
| dc.type.none.fl_str_mv | Text Journal contribution info:eu-repo/semantics/publishedVersion text contribution to journal |
| description | <p dir="ltr">A key approach towards better realization of intermittent renewable energy resources, namely, solar and wind, is green electrochemical hydrogen production from water electrolysis. In recent years, there have been increasing efforts aimed at developing noble metal-free electrocatalysts that are earth-abundant and electroactive towards hydrogen evolution reaction (HER) in alkaline electrolytes, wherein an initial water dissociation step is followed by a two-electron transfer cathodic reaction. Although relatively earth-abundant, vanadium-based electrocatalysts have been sparsely reported due to subpar electroactivity and kinetics towards water electrolysis in general and alkaline electrolysis in specific. Herein, we investigate the fine-tuning of orthorhombic V<sub>2</sub>O<sub>5</sub>-based electrocatalysts as candidates for HER through a scalable two-step sol–gel calcination procedure. Briefly, surface-induced anionic oxygen deficiencies and cationic dopants are synergistically studied experimentally and theoretically. To that end, first-principle facet-dependent density function theory (DFT) calculations were conducted and revealed that the coupling of certain dopants on V<sub>2</sub>O<sub>5</sub> and co-induction of oxygen vacancies can enhance the catalytic HER performance by the creation of new electronic states near the Fermi level (EF), enhancing conductivity, and modulating surface binding of adsorbed protons, respectively. This was reflected experimentally through kinetically non-ideal alkaline electrochemical HER using Zn<sub>0.4</sub>V<sub>1.6</sub>O<sub>5</sub> whereby − 194 mV of overpotential was required to attain − 10 mA/cm<sup>2</sup> of current density, as opposed to pristine V<sub>2</sub>O<sub>5</sub> which required 32% higher overpotential requirement at the same conditions. The disclosed work can be extended to other intrinsically sluggish transition metal (TM)–based oxides via the presented systematic tuning of surface and bulk microenvironment modulation.</p><h2>Other Information</h2><p dir="ltr">Published in: Emergent Materials<br>License: <a href="https://creativecommons.org/licenses/by/4.0" target="_blank">https://creativecommons.org/licenses/by/4.0</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.1007/s42247-024-00679-0" target="_blank">https://dx.doi.org/10.1007/s42247-024-00679-0</a></p> |
| eu_rights_str_mv | openAccess |
| id | Manara2_05a0a9bba2220f88872f522c6df10618 |
| identifier_str_mv | 10.1007/s42247-024-00679-0 |
| network_acronym_str | Manara2 |
| network_name_str | Manara2 |
| oai_identifier_str | oai:figshare.com:article/29625254 |
| publishDate | 2024 |
| repository.mail.fl_str_mv | |
| repository.name.fl_str_mv | |
| repository_id_str | |
| rights_invalid_str_mv | CC BY 4.0 |
| spelling | Theoretical and experimental investigations of vanadium pentoxide–based electrocatalysts for the hydrogen evolution reaction in alkaline mediaDima Abu Alhawa (21768260)Ahmed Badreldin (9574341)Abdellatif El-Ghenymy (17807588)Noor Hassan (4278379)Yiming Wubulikasimu (11084790)Khaled Elsaid (11084793)Ahmed Abdel-Wahab (1748986)Chemical sciencesPhysical chemistryEngineeringEnvironmental engineeringNanotechnologyHydrogen evolution reactionVanadium oxideV2O5DFTOxygen vacancyTransition metal oxide<p dir="ltr">A key approach towards better realization of intermittent renewable energy resources, namely, solar and wind, is green electrochemical hydrogen production from water electrolysis. In recent years, there have been increasing efforts aimed at developing noble metal-free electrocatalysts that are earth-abundant and electroactive towards hydrogen evolution reaction (HER) in alkaline electrolytes, wherein an initial water dissociation step is followed by a two-electron transfer cathodic reaction. Although relatively earth-abundant, vanadium-based electrocatalysts have been sparsely reported due to subpar electroactivity and kinetics towards water electrolysis in general and alkaline electrolysis in specific. Herein, we investigate the fine-tuning of orthorhombic V<sub>2</sub>O<sub>5</sub>-based electrocatalysts as candidates for HER through a scalable two-step sol–gel calcination procedure. Briefly, surface-induced anionic oxygen deficiencies and cationic dopants are synergistically studied experimentally and theoretically. To that end, first-principle facet-dependent density function theory (DFT) calculations were conducted and revealed that the coupling of certain dopants on V<sub>2</sub>O<sub>5</sub> and co-induction of oxygen vacancies can enhance the catalytic HER performance by the creation of new electronic states near the Fermi level (EF), enhancing conductivity, and modulating surface binding of adsorbed protons, respectively. This was reflected experimentally through kinetically non-ideal alkaline electrochemical HER using Zn<sub>0.4</sub>V<sub>1.6</sub>O<sub>5</sub> whereby − 194 mV of overpotential was required to attain − 10 mA/cm<sup>2</sup> of current density, as opposed to pristine V<sub>2</sub>O<sub>5</sub> which required 32% higher overpotential requirement at the same conditions. The disclosed work can be extended to other intrinsically sluggish transition metal (TM)–based oxides via the presented systematic tuning of surface and bulk microenvironment modulation.</p><h2>Other Information</h2><p dir="ltr">Published in: Emergent Materials<br>License: <a href="https://creativecommons.org/licenses/by/4.0" target="_blank">https://creativecommons.org/licenses/by/4.0</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.1007/s42247-024-00679-0" target="_blank">https://dx.doi.org/10.1007/s42247-024-00679-0</a></p>2024-04-15T09:00:00ZTextJournal contributioninfo:eu-repo/semantics/publishedVersiontextcontribution to journal10.1007/s42247-024-00679-0https://figshare.com/articles/journal_contribution/Theoretical_and_experimental_investigations_of_vanadium_pentoxide_based_electrocatalysts_for_the_hydrogen_evolution_reaction_in_alkaline_media/29625254CC BY 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/296252542024-04-15T09:00:00Z |
| spellingShingle | Theoretical and experimental investigations of vanadium pentoxide–based electrocatalysts for the hydrogen evolution reaction in alkaline media Dima Abu Alhawa (21768260) Chemical sciences Physical chemistry Engineering Environmental engineering Nanotechnology Hydrogen evolution reaction Vanadium oxide V2O5 DFT Oxygen vacancy Transition metal oxide |
| status_str | publishedVersion |
| title | Theoretical and experimental investigations of vanadium pentoxide–based electrocatalysts for the hydrogen evolution reaction in alkaline media |
| title_full | Theoretical and experimental investigations of vanadium pentoxide–based electrocatalysts for the hydrogen evolution reaction in alkaline media |
| title_fullStr | Theoretical and experimental investigations of vanadium pentoxide–based electrocatalysts for the hydrogen evolution reaction in alkaline media |
| title_full_unstemmed | Theoretical and experimental investigations of vanadium pentoxide–based electrocatalysts for the hydrogen evolution reaction in alkaline media |
| title_short | Theoretical and experimental investigations of vanadium pentoxide–based electrocatalysts for the hydrogen evolution reaction in alkaline media |
| title_sort | Theoretical and experimental investigations of vanadium pentoxide–based electrocatalysts for the hydrogen evolution reaction in alkaline media |
| topic | Chemical sciences Physical chemistry Engineering Environmental engineering Nanotechnology Hydrogen evolution reaction Vanadium oxide V2O5 DFT Oxygen vacancy Transition metal oxide |