Divulging the potential role of wide band gap semiconductors in electro and photo catalytic water splitting for green hydrogen production

doi:10.1016/S1872-2067(24)60156-7

Abstract

Abstract:

Green hydrogen is the most promising option and a two in one remedy that resolve the problem of both energy crisis and environmental pollution. Wide band gap semiconductors (WBG) (E_g >2 eV) are the most prominent and leading catalytic materials in both electro and photocatalytic water splitting (WSR); two sustainable methods of green hydrogen production. WBGs guarantee long life time of photo charge carriers and thereby surface availability of electrons and holes. Therefore, WBG (with appropriate VB-CB potential) along with small band gap materials or sensitizers can yield extraordinary photocatalytic system for hydrogen production under solar light. The factors such as, free energy of hydrogen adsorption (∆G_H^*) close to zero, high electron mobility, great thermal as well as electro chemical stability and high tunability make WBG an interesting and excellent catalyst in electrolysis too. Taking into account the current relevance and future scope, the present review article comprehends different dimensions of WBG materials as an electro/photo catalyst for hydrogen evolution reaction. Herein WBG semiconductors are presented under various classes; viz. II-VI, III-V, III-VI, lanthanide oxides, transition metal based systems, carbonaceous materials and other systems such as SiC and MXenes. Catalytic properties of WBGs favorable for hydrogen production are then reviewed. A detailed analysis on relationship between band structure and activity (electro, photo and photo-electrochemical WSR) is performed. The challenges involved in these reactions as well as the direction of advancement in WBG based catalysis are also debated. By virtue of this article authors aims to guideline and promote the development of new WBG based electro/photocatalyst for HER and other applications.

Key words: Electrocatalysis, Photocatalysis, Photoelectrocatalysis, Hydrogen evolution reaction, Hydrogen, Sustainable development

Athira Krishnan, K. Archana, A. S. Arsha, Amritha Viswam, M. S. Meera. Divulging the potential role of wide band gap semiconductors in electro and photo catalytic water splitting for green hydrogen production[J]. Chinese Journal of Catalysis, 2025, 68: 103-145.

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URL: https://www.cjcatal.com/EN/10.1016/S1872-2067(24)60156-7

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Figures/Tables 23

Fig. 1. Scheme showing overall structure of the present review article.

Fig. 2. Mechanism of photocatalytic water splitting over the surface of a semiconductor photocatalyst [27].

Fig. 3. The electronic band structure and thermodynamics of photocatalytic water splitting over the surface of a semiconductor photocatalyst [30].

Fig. 4. WBG Systems I) with suitable band structure for water splitting and II) not with suitable inherent band structure for water splitting.

Fig. 5. Volcano plot of WBG systems.

Fig. 6. Synthesis of various WBG semiconductor based systems.

Fig. 7. Schematic representation of design strategies of efficient HER electro and photocatalyst.

Fig. 8. Mechanism of electrocatalytic HER from acidic and alkaline medium.

Fig. 9. Free energy diagram of HER: (a) Volmer-Heyrovsky; (b) Volmer-Tafel route.

Fig. 10. Mechanism of direct (a) and indirect (b) mechanism of HER.

Fig. 11. Mott-Schottky plots vs. Ag/AgCl electrode (a), Normal hydrogen electrode (b), VB-CB positions (c) of TiO2, SnO2 and g-C3N4 [198].

Fig. 12. (a) EIS of bare SPCE and ND-GCSs@SPCE electrodes (a larger presentation of bare SPCE data is shown in the inset). (b) HER stability test of the ND-GCSs@SPCE electrocatalyst before and after 1000 cycles. Reproduced with permission from Ref. [230].

Fig. 13. HER activity of different electrodes. Linear sweep voltammograms of NHC, HC, graphite and Ti electrodes in 0.5 mol L?1 H2SO4 (scan rate 5 mV s?1). Reproduced with permission from Ref. [231].

Fig. 15. (a) 3D representations of Cu2O particles. (i) Cubic; (ii) octahedron; (iii) truncated Octahedron; (iv) truncated octahedron PVP-Cu2O; (v) star. Morphologies of Cu2O. (b) Cubic. (c) Octahedron. (d) Truncated Octahedron. (e) Truncated octahedron PVP-Cu2O. (f) Star. (g) XRD patterns Cu2O particles of different geometry. Reprinted with permission from Ref. [253]. Copyright 2023, MDPI.

Fig. 16. Straddling heterojunction (a), staggered heterojunction (b), general representation (c) of Broken-up heterojunction. (d) Broken-up heterojunction in VO/AC/GCO composite. Reprinted with permission from [7]. Copyright 2021, Elsevier. Reprinted with permission from [273]. Copyright 2021, Elsevier. Reprinted with permission from [275]. Copyright 2018, Wiley.

Fig. 17. Charge transfer at Z-scheme heterojunction (a), S-scheme heterojunction (b), p-n junction (c), and Schottky junction (d). Reproduced with permission from [276]. Copyright 2017, Elsevier. Reproduced with permission from [280]. Copyright 2023, ACS. Reproduced with permission from [282]. Copyright 2010, ACS. Reproduced with permission from [283]. Copyright 2013, Elsevier.

Fig. 18. Charge transfer route in z-scheme and s-scheme system.

Fig. 19. Charge transfer route in p-n junction (a) and Schottky junction (b).

Fig. 20. Charge transfer process through dual S-scheme (a), dual z-scheme (b) and combined S-scheme-p-n junction (c). Reprinted with permission from [285], Copyright 2017, ACS. Reprinted with permission from [286]. Copyright 2018, Elsevier. Reprinted with permission from [287]. Copyright 2013, Springer.

Fig. 22. Mechanism of hydrogen production by photoelectrocatalysis.

Fig. 23. SAC Diatomic catalysis.

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