Document Type
Article
Publication Date
Fall 11-1-2025
Abstract
Hydrogen production through water electrolysis is a promising method for storing renewable energy and reducing greenhouse gas emissions. However, the efficiency and stability of hydrogen production electrodes remain challenging issues. In this study, we present a rationally designed α-Fe2O3/2H–MoS2 heterojunction that unlocks the electrocatalytic potential of the inert basal plane of the semiconducting 2H–MoS2 phase. The heterostructure, synthesized via a facile hydrothermal method, features α-Fe2O3 nanocubes anchored onto flowerlike 2H–MoS2 nanosheets. The electrochemical performance of the α-Fe2O3/2H–MoS2 heterojunction electrode was evaluated by linear sweep voltammetry, Tafel polarization, and electrochemical impedance spectroscopy. The results showed that the α-Fe2O3/2H–MoS2 electrode exhibited lower onset overpotential (59.3 mV), lower Tafel slope (70 mV/dec), lower charge transfer resistance (Rct = 1.268 Ω), and higher double layer capacitance (24.1 mF/cm2 ) than the pure α-Fe2O3 and 2H–MoS2 electrodes. The enhanced electrocatalytic activity and stability of the α-Fe2O3/2H–MoS2 electrode can be attributed to the synergistic effect between 2H–MoS2 and α-Fe2O3, which improved the charge transfer and water dissociation processes. This work demonstrates that the α-Fe2O3/2H–MoS2 heterojunction is a promising candidate for efficient and sustainable hydrogen production. Additionally, density functional theory (DFT) simulations were conducted to evaluate the density of states (DOS), quantum capacitance, and Gibbs free energy of hydrogen adsorption (ΔGH) for the α-Fe2O3/2H–MoS2 heterojunction. The DOS analysis provided valuable insights into the electronic structure and band alignment, while the quantum capacitance characteristics contributed to understanding the charge storage capabilities of the heterojunction. Together, these calculations are crucial for evaluating the performance of the α-Fe2O3/2H–MoS2 heterojunction as an electrode material for efficient electrochemical hydrogen evolution, highlighting the interplay between electronic properties and electrocatalytic activity.
Recommended Citation
Sayed, Mohamed; Metwalli, Ossama; Abdellatif, Sameh O.; Yin, Kai; Saber, Mohamed; Khalil, Ahmed; and Abdelwahan, Hossam, "Harnessing electrochemical hydrogen evolution in α-Fe2O3/2H–MoS2 heterojunction: A theoretical and experimental study on electronic modulation and basal plane activation" (2025). Electrical Engineering. 165.
https://buescholar.bue.edu.eg/elec_eng/165