Sustainable Hydrogen Research Articles

A family of 2D APt2B3 (A = K, Rb, Cs; B = S, Se) with high-performance for photocatalytic water splitting

Photocatalytic water splitting (PWS) is a promising approach for sustainable hydrogen production, which can potentially address the growing energy demands and environmental concerns. In this paper, we designed a family of 18 two-dimensional materials, AX2B3 (A = K, Rb, Cs; X = Ni, Pd, Pt; BS, Se), and further investigated their stability, electronic structures and PWS performance. We illustrated that all the materials possess high stability, and exhibit semiconducting characteristics with band-gaps from 0.78 to 2.07 eV. Interestingly, there are 6 Pt-containing materials, KPt2S3, KPt2Se3, RbPt2S3, RbPt2Se3, CsPt2S3 and CsPt2Se3, with suitable band-edges to drive hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) in the process of PWS. Besides, these 6 candidates can release high PWS activity due to their high electron mobility of ∼103 cm2/Vs, which is significantly higher than that of hole. Moreover, they have strong optical absorption coefficient (∼105 cm−1) covering visible to ultraviolet light, and deliver amazing solar-to-hydrogen efficiencies from 24.57% to 26.72%, which are higher than those of common PWS materials. Ultimately, two-dimensional APt2B3 (A = K, Rb, Cs; BS, Se) are suitable candidates for PWS application under sun light.

Comparative assessment of the scientific structure of biomass-based hydrogen from a cross-domain perspective

Biomass-based hydrogen production is an innovative approach for realizing carbon-neutral energy solutions. Despite their promise, both structures differ in terms of the biomass energy domain, which is at the entry point of the technology, and the hydrogen energy domain, which is at the exit point of the technology. In this study, we conducted structural and predictive analyses via cross-domain bibliometric analysis to clarify the differences in the structures and perspectives of researchers across domains and to suggest ways to strengthen collaboration to promote innovation. Our study revealed that the hydrogen energy domain has a balanced impact on realizing a hydrogen society using biomass-based hydrogen production technology, while the biomass energy domain has a strong interest in the process of processing biomass. The results reveal that different communities have different ideas about research, resulting in a divide in the areas to be achieved. This comparative analysis reveals the importance of synergistic progress through interdisciplinary efforts. By filling these gaps, our findings can lead to the development of a roadmap for future research and policy development in renewable energy and highlight the importance of a unified approach to sustainable hydrogen production. The contribution of this study is to provide evidence for the importance of cross-disciplinary cooperation for R&D directors and policy makers.

Thermal and Sono-Aqueous Reforming of Alcohols for Sustainable Hydrogen Production.

Hydrogen is a clean-burning fuel with water as its only by-product, yet its widespread adoption is hampered by logistical challenges. Liquid organic hydrogen carriers, such as alcohols from sustainable sources, can be converted to hydrogen through aqueous-phase reforming (APR), a promising technology that bypasses the energy-intensive vaporization of feedstocks. However, the hydrothermal conditions of APR pose significant challenges to catalyst stability, which is crucial for its industrial deployment. This review focuses on the stability of catalysts in APR, particularly in sustaining hydrogen production over extended durations or multiple reaction cycles. Additionally, we explore the potential of ultrasound-assisted APR, where sonolysis enables hydrogen production without external heating. Although the technological readiness of ultrasound-assisted or -induced APR currently trails behind thermal APR, the development of catalysts optimized for ultrasound use may unlock new possibilities in the efficient hydrogen production from alcohols.

Optimizing process parameters and materials for the conversion of plastic waste into hydrogen

Abstract This study has investigated hydrogen production from waste plastics using pyrolysis, steam methane reforming, and water-gas-shift reactions modelled via Aspen Plus. After evaluating multiple alternatives, polypropylene (PP) was selected as the feedstock. The research has been focused on how reformer temperature, steam-to-fuel ratio (S/F), reformer pressure, and pyrolysis temperature impact syngas composition, heating values, syngas (H2/CO) ratios, and yields of hydrogen (H2), methane (CH4), and carbon dioxide (CO2). Key findings have indicated that raising reformer temperatures to around 1000°C maximizes hydrogen production in syngas, reaching peak levels of 2360 Nm3/Ton and 2525 Nm3/Ton for reformer temperature and steam-to-fuel ratio (S/F) ratios, respectively, via processes like steam methane reforming and the water-gas-shift reaction. Moreover, other parameters like steam-to-fuel (S/F) ratio and reformer pressure have produced the highest amount of hydrogen at 0.25 and 1 atm, respectively. Optimizing reformer temperature and steam-to-fuel ratio (S/F) have been selected as key in hydrogen production, with peak lower heating values (LHV) of 1.15 MJ/kg for temperature and 1.035 MJ/kg for S/F ratios, highlighting the importance of balancing these parameters for efficiency. Additionally, syngas' hydrogen (H2) composition increased with pyrolysis temperature, peaking at 8.5% at 700°C. Finally, this research has provided valuable insights into optimizing process parameters for sustainable hydrogen production. Moreover, the simulation process has provided cost-effective adjustments and informed decision-making for sustainable and scalable technologies, benefiting researchers, investors, engineers, and policymakers involved in innovative hydrogen generation.

High-Entropy Selenides with Tunable Lattice Distortion as Efficient Electrocatalysts for Oxygen Evolution Reaction.

Developing stable and active electrocatalysts is crucial for enhancing the oxygen evolution reaction (OER) efficiency, which sluggish kinetics hinders sustainable hydrogen production. High entropy selenides (HESes) features with random distribution of multiple metals cations and unique electronic and size effect of Se anion, allowing for precious regulation of their catalytic properties towards high OER activity. In this work, we report a series of high-entropy selenides catalysts with tunable lattice strain for electrocatalytic oxygen evolution. Electrochemical measurements show that the quinary (NiCoMnMoFe)Sex requires only 291 mV to reach 10 mA cm-2 and exhibits a superior stability with negligible current decay during 100 h's continuous operation. By combining experimental measurements and theoretical calculation, the study reveals that the lattice distortion, reflected by the local microstrain near the active site, plays a vital role in boosting the OER activity of HESes.

Quaternary Mixed Oxides of Non-Noble Metals with Enhanced Stability during the Oxygen Evolution Reaction.

Robust electrocatalysts required to drive the oxygen evolution reaction (OER) during water electrolysis are still a missing component toward the path for sustainable hydrogen production. Here a new family of OER active quaternary mixed-oxides based on X-Sn-Mo-Sb (X = Mn, Fe, Co, or Ni) is reported. These nonstoichiometric mixed oxides form a rutile-type crystal structure with a random atomic motif and diverse oxidation states, leading to the formation of cation vacancies and local disorder. The successful incorporation of all cations into a rutile structure was achieved using oxidizing agents that facilitates the formation of Sb5+ required to form the characteristic octahedral coordination in rutile. The mixed oxides exhibit enhanced stability in both acidic and alkaline environments under anodic potentials with no changes in their crystal structure after extensive electrochemical stress. The improved stability of these mixed oxides highlights their potential application as scaffolds to host and stabilize OER active metals.

Photocatalytic Ammonia Decomposition Using Dye-Encapsulated Single-Walled Carbon Nanotubes

The photocatalytic decomposition of ammonia to produce N2 and H2 was achieved using single-walled carbon nanotube (SWCNT) nanohybrids. The physical modification of ferrocene-dye-encapsulated CNTs by amphiphilic C60-dendron yielded nanohybrids with a dye/CNT/C60 coaxial heterojunction. Upon irradiation with visible light, an aqueous solution of NH3 and dye@CNT/C60-dendron nanohybrids produced both N2 and H2 in a stoichiometric ratio of 1/3. The action spectra of this reaction clearly demonstrated that the encapsulated dye acted as the photosensitizer, exhibiting an apparent quantum yield (AQY) of 0.22% at 510 nm (the λmax of the dye). This study reports the first example of dye-sensitized ammonia decomposition and provides a new avenue for developing efficient and sustainable photocatalytic hydrogen production systems.

A joint Cournot equilibrium model for the hydrogen and electricity markets

Hydrogen production through renewable energy-powered electrolysis is pivotal for fostering a sustainable future hydrogen market. In the electricity sector, hydrogen production bears an additional demand that affects electricity price, and mathematical models are needed for the joint simulation, analysis, and planning of electricity and hydrogen sectors. This study develops a Cournot and a perfect competition model to analyze the links of the electricity and hydrogen sectors. In contrast to other solving methods approaches, the Cournot model is solved by convex reformulation techniques, substantially easing the resolution. The case studies, focusing on the Iberian Peninsula, demonstrate the region's potential for competitive hydrogen production, and the advantages of perfect competition to maximize the use of renewable energies, in contrast to Cournot's oligopoly, where the exercise of market power raises electricity prices. Sensitivity analyses highlight the importance of strategic decision-making in mitigating market inefficiencies, with valuable insights for stakeholders and policymakers.

Tuning the photocatalytic performance of halide perovskites for efficient solar hydrogen production: A DFT study of CsGeCl3-xXx (X= Br, I)

Photoelectrochemical water splitting holds immense potential for sustainable hydrogen production to address mounting energy demands. However, the development of efficient and cost-effective photocatalysts remains a significant challenge. Perovskites, recognized for their cost-effectiveness and tunable characteristics, show potential as viable candidates in this context. Our investigation is the first to mark the photocatalytic efficacy of CsGeCl3. The findings reveal a modest solar-to-hydrogen (STH) efficiency of 0.74 % due to its wide bandgap energy. Halide mixing with iodine and bromine significantly improves the STH efficiencies, reaching approximately 8.47 %. In addition, applying uniaxial compressive stress further boosts the efficiency to 14.6 %. In this study, we employed the density functional theory (DFT) through the WIEN2k software to scrutinize the structural, electronic, optical, photocatalytic, and thermoelectric properties of all the studied structures. Furthermore, the study evaluated the compounds' capacity for CO2 photoreduction, susceptibility to degradation, and the influence of pH on their photocatalytic performance. The insights gained from this work contribute to the development of efficient and cost-effective perovskite-based photocatalysts for renewable hydrogen production.

Cr-doped tri-metallic nano prism catalyst for efficient alkaline and seawater splitting

Electrochemical water splitting is one of the most promising methods for sustainable production of green hydrogen. The oxygen evolution reaction (OER) is a crucial step in the process of water splitting. However, it exhibits sluggish kinetics and requires a significant overpotential for functioning at reasonable reactionrates. The efficiency of the reaction can be enhanced by reducing the overpotential, lowering the energy barrier, and using an effective electrocatalyst. Transition metal-basedcatalysts are well studied for this purpose. Specially, nickel–cobalt (Ni-Co) based catalysts have been regarded as the best OER electrocatalysts. Therefore, several studies have been carried out to enhance the electrocatalytic efficiency of Ni-Co catalysts. While mixing other transition metals with Ni-Co is a straightforward and reliable method to improve the OER activity of Ni-Co catalysts, there is still a need for a thorough examination of the design of Ni-Co catalysts with various additional elements. Seawater electrolysis, which utilizes abundant water resources that constitute over 97% of the world’s water, is highly appealing for sustainable energy production. To achieve commercial feasibility, scientists are striving to solve challenges, such as corrosion resistance, highoverpotential, and the need for efficient and durable electrocatalysts.In this study, we fabricated a transition metal-based trimetallic catalyst (CNF), consisting of cobalt (Co), nickel (Ni), and iron (Fe). Furthermore, CNF was doped with chromium (Cr-doped CNF) and tested for the OER in alkaline freshwater and alkaline seawater. Our Cr-doped trimetallic CNF catalyst demonstrates exceptional performance in both seawater and freshwater, with overpotential of 320 mV and 280 mV at 10 mA cm−2 current density, making it a promising candidate for large-scale, sustainable hydrogen production.

Self‐Encapsulated Ni Nanoparticles on Delignified Wood Carbon for Efficient Urea‐Assisted Hydrogen Production

AbstractDeveloping efficient, low‐cost electrocatalysts for industrial‐level hydrogen production remains a significant challenge. Here lattice‐distorted Ni nanoparticles (NPs) encapsulated within a nitrogen‐doped carbon shell on delignified wood carbon (Ni‐NC@DWC) are constructed through a chitosan‐induced assembly and the pyrolysis process. Experimental and theoretical results indicate that the lattice distortion due to strong metal‐support interactions, boosts electron transfer and reaction intermediate adsorption/desorption, enhancing both the urea oxidation reaction (UOR) and hydrogen evolution reaction (HER). Interestingly, the active center Ni3+‐O is dynamically cyclically generated during the UOR. When utilized as a self‐standing electrode in an alkaline electrolyte, the Ni‐NC@DWC exhibits low potentials of 24 mV and 1.244 V at 100 mA cm−2 for HER and UOR, respectively. Moreover, the Ni‐NC@DWC achieves an ultrasmall cell voltage of 1.13 V at 100 mA cm−2 for urea‐assisted water splitting and can operate stably over 1000 h. Furthermore, when it is self‐assembled as an anion exchange membrane (AEM) electrolyzer, it requires only 1.62 V at 2000 mA cm−2 for industrial urea‐assisted water splitting and operates stably for 150 h without degradation, confirming that it is highly attractive for economical, sustainable, and scalable hydrogen production.

Rapid and eco-friendly ultrasonic exfoliation of transition metal dichalcogenides supported on sonogel-nanocarbon black: A non-precious electrocatalyst for hydrogen evolution reaction

Recently, there has been growing interest in replacing expensive platinum-based catalysts with cost-effective non-precious metal alternatives for water electrolysis aimed at hydrogen production. This study introduces an innovative, green, and cost-effective strategy for the development of non-precious electrocatalysts by leveraging sodium alginate-mediated ultrasonic exfoliation to produce transition metal dichalcogenide (TMD) nanosheets. These nanosheets are supported on Sonogel-Carbon electrodes (SGC), providing a novel conductive base for HER catalysis. Using a diverse array of TMD materials, including MoS2, MoSe2, WS2, and WSe2, we assess their catalytic activity towards HER. The study demonstrates significantly enhanced HER performance through bulk modification of the electrodes with nanocarbon black (SGC-CB). This enhancement is primarily due to the synergistic effects of improved electron transfer and increased active site availability, facilitated by the unique structural properties of the exfoliated TMD nanosheets and the conductive Sonogel-Carbon substrate. Notably, the optimized MoSe2NS-SGC-CB configuration achieves an exceptional overpotential of 240 mV at a current density of 10 mA/cm2, surpassing conventional bulk catalysts and highlighting the potential of sodium alginate as a viable dispersing agent for the large-scale production of TMD nanosheets. The operational stability and cost-effectiveness of this electrocatalyst, combined with its environmental friendliness, mark a significant step forward in the pursuit of sustainable hydrogen fuel production technologies.

Optimizing NiFe-Modified Graphite for Enhanced Catalytic Performance in Alkaline Water Electrolysis: Influence of Substrate Geometry and Catalyst Loading.

The oxygen evolution reaction (OER) and the hydrogen evolution reaction (HER) are critical processes in water splitting, yet achieving efficient performance with minimal overpotential remains a significant challenge. Although NiFe-based catalysts are widely studied, their performance can be further enhanced by optimizing the interaction between the catalyst and the substrate. Here, we present a detailed investigation of NiFe-modified graphite electrodes, comparing the effects of compressed and expanded graphite substrates on catalytic performance. Our study reveals that substrate geometry plays a pivotal role in catalyst distribution and activity, with expanded graphite facilitating more effective electron transfer and active site utilization. Additionally, we observe that increasing the NiFe loading leads to only modest gains in performance, due to catalyst agglomeration at higher loadings. The optimized NiFe-graphite composites exhibit superior stability and catalytic activity, achieving lower overpotentials and higher current densities, making them promising candidates for sustainable hydrogen production via alkaline electrolysis.

Solar-driven Pt free hydrogen production and successive degradation of sulfasalazine using CuO/ZnO binary nanocomposites: Reaction kinetics and determination of reaction parameters using response surface methodology

BackgroundApproaches for sustainable, green, and expensive catalyst-free hydrogen production have not been explored extensively. Moreover, during photocatalysis, a lot of material gets wasted due to a lack of proper optimization of the reaction parameters to remove the toxic industrial effluents. MethodsHere in this study, we present the green synthesis of CuO/ZnO nanocomposites from the ethanolic crude extract of Oxystelma esculentum. The synthesized photocomposites were systematically characterized by Fourier transform infrared spectroscopy, zeta potential, x-ray diffraction, scanning electron microscopy, transmission electron microscopy, atomic force microscopy, and x-ray photoelectron spectroscopy. The performed analyses provided useful insights into identifying important functional groups, size, morphology, elemental composition, crystallinity, and defects in the synthesized photocomposites. Significant FindingsAfter characterization, the nanocomposites were evaluated for photocatalytic sulfasalazine (SSZ) degradation and hydrogen production. The response surface methodology (RSM) was employed to optimize SSZ's photocatalytic degradation. The optimized values of reaction parameters for the photocatalytic degradation of SSZ comprise pH = 4.06, SSZ dose = 47.75 mg/L, CuO/ZnO dose = 44.42 mg, and temperature = 23.60 °C. The rates observed in the hydrogen production (1136 µmolh-1g-1) were obtained without costly co-catalyst. The optimized values for hydrogen production include photocatalyst dosage = 50 mg, pH = 7, and time = 5 hours. These features signify the efficient separation of charge carriers between synthesized nanocomposites, resulting in exquisite activities.

NiO@GaN nanorods-based core-shell heterostructure for enhanced photoelectrochemical water splitting via efficient charge separation

Remarkable properties of III-V semiconductors, particularly GaN nanostructured based photoelectrodes offers a potential attention in the field of photoelectrochemical water splitting (PEC-WS) for clean and sustainable hydrogen production, due to its wide bandgap, magnificent optoelectrical properties. However, the presence of inevitable surface states in GaN nanorods (NRs) leads to low solar-to-hydrogen (STH) conversion efficiency with poor stability, thereby severely limiting their practical application in PEC-WS, which can be effectively alleviated by constructing a hybrid heterostructures. Herein, we present the development of interfacial engineering of a type-II core-shell heterostructure based on p-NiO nanoparticles (NPs) loaded on n-GaN NRs photoelectrodes for PEC-WS. We assessed the impact of the NiO NPs shell density on core GaN NRs, finding that the optimized NiO@GaN NRs photoelectrode achieved a photocurrent density (Jph) of 1.38 mA/cm² at 1.23 V versus RHE and an excellent applied bias photo-to-current conversion efficiency (ABPE) of ∼0.39 %, which was 3.8 (Jph) and 4.8 (ABPE)-fold times higher than the pristine GaN NRs photoanode under 1-Sun illumination. The type-II p-n heterojunction band alignment between core-shell NiO@GaN NRs photoelectrode effectively reduced the photogenerated carrier recombination rate through surface states passivation and boost the light absorption and harvesting capacity. This facilitates a significant charge separation and transfer at the photoanode/electrolyte interface leading to enhanced redox reactions, resulting in improved PEC-WS and STH performances. These findings offer a promising strategy to design and fabricate highly efficient III-V hybrid heterostructure photoelectrodes for futuristic PEC-WS-based green energy applications.

Tungsten based nanostructured hybrid electrocatalysts in neutral medium for hydrogen evolution reaction

Generating a clean and sustainable hydrogen using the naturally available electrocatalysts to split water is among the primary energy resources adopted by the global industries. Transition metal dichalcogenides such as tungsten disulfide (WS2) provide abundant active sites to foster hydrogen evolution reaction (HER). A simple hydrothermal process was employed to synthesize WO3·H2O (hydrated tungsten trioxide) and WO3 nanoparticles. The inclusion of WS2 into the oxide has enhanced the ionic movement, which has improved the catalytic performance of the composite. The hydrophilic nature of WO3 has facilitated the conversion of water molecules into adsorbed hydrogen, which was then spilled over the HER active sites of WS2 to produce hydrogen. Thus, the WO3·H2O/WS2 catalyst achieved a current density of 10 mA cm−2 at an overpotential of 383 mV with Tafel slope of 77 mV dec−1 under neutral conditions and a hydrogen evolution rate of 0.33 mmol h−1 cm−2 at −0.5 V versus RHE.

Towards sustainable hydrogen production: Integrating electrified and convective steam reformer with carbon capture and storage

This work reports the design of a process for hydrogen production based on electrified steam methane reforming (e-SMR) coupled with a convective reforming (convective SMR) and carbon capture and storage (CCS) as an alternative to conventional fuel-fired reforming to reduce natural gas (NG) consumption as well as carbon dioxide emissions. The energy required by the reforming reaction is supplied by direct electric heating instead of burning fossil fuel in the radiant section of a furnace, saving 35 % NG and reducing CO2 emission by 29 %. Implementing convective SMR reduces the electric load of the main e-SMR reactor and ensures a slightly higher thermal efficiency (80.2 %) compared to conventional fuel-fired reforming (78.9 %). Further CO2 emissions (85 %) and NG consumption reduction (50 %) are possible by adopting amine-based CO2 capture. If coupled with an energy integration scheme, it is possible to capture 75 % of the CO2 produced, preserving high energy efficiency (79.4 %). This requires only a 14 % increase in capital costs, which is strongly beneficial compared to applying CO2 capture to flue gases of the fuel-fired reforming (69.8 % efficiency and 80 % more capital costs).The process based on e-SMR coupled with convective SMR and CO2 capture ensures a levelized cost of hydrogen (LCOH) of 0.281 € Nm−3 H2, which is much lower than the conventional fuel-fired reforming with CO2 capture applied to flue gases (0.309 € Nm−3 H2). Moreover, it has comparable CO2 emissions (1.59 vs 0.99 kg CO2 emitted kg−1 H2) but produces lower CO2 (6.39 vs 9.88 CO2 produced kg−1 H2) compared to fuel-fired reforming due to using renewable electricity as energy source for the SMR. Compared to conventional fuel-fired reforming, the same process provides similar LCOH (0.283 vs 0.282 € Nm−3 H2) but with drastically lower CO2 emissions (1.59 vs 8.99 kg CO2 emitted kg−1 H2).

Hydrogen Separation Membranes: A Material Perspective

The global energy market is shifting toward renewable, sustainable, and low-carbon hydrogen energy due to global environmental issues, such as rising carbon dioxide emissions, climate change, and global warming. Currently, a majority of hydrogen demands are achieved by steam methane reforming and other conventional processes, which, again, are very carbon-intensive methods, and the hydrogen produced by them needs to be purified prior to their application. Hence, researchers are continuously endeavoring to develop sustainable and efficient methods for hydrogen generation and purification. Membrane-based gas-separation technologies were proven to be more efficient than conventional technologies. This review explores the transition from conventional separation techniques, such as pressure swing adsorption and cryogenic distillation, to advanced membrane-based technologies with high selectivity and efficiency for hydrogen purification. Major emphasis is placed on various membrane materials and their corresponding membrane performance. First, we discuss various metal membranes, including dense, alloyed, and amorphous metal membranes, which exhibit high hydrogen solubility and selectivity. Further, various inorganic membranes, such as zeolites, silica, and CMSMs, are also discussed. Major emphasis is placed on the development of polymeric materials and membranes for the selective separation of hydrogen from CH4, CO2, and N2. In addition, cutting-edge mixed-matrix membranes are also delineated, which involve the incorporation of inorganic fillers to improve performance. This review provides a comprehensive overview of advancements in gas-separation membranes and membrane materials in terms of hydrogen selectivity, permeability, and durability in practical applications. By analyzing various conventional and advanced technologies, this review provides a comprehensive material perspective on hydrogen separation membranes, thereby endorsing hydrogen energy for a sustainable future.

Archipelago-like oxygen-vacancies-enriched amorphous-crystalline heterointerface for enhanced water splitting

Advancing the development of proficient bifunctional water splitting electrocatalysts and deciphering the underlying drivers of their performance are pivotal for accelerating the sustainable hydrogen energy sector. In this study, a novel Fe and P dual-doped cobalt molybdate electrocatalyst (P-FCMO@NF) is engineered in-situ on a nickel foam substrate that induces an archipelago-like amorphous-crystalline heterointerface as well as abundant oxygen vacancies (VO) on the near-surface, in favor of the electron transport and enhancing the water splitting capability respectively. Consequently, P-FCMO@NF exhibits excellent electrocatalytic performance in 1 M KOH solution. The water splitting device shows an ultra-low work voltage of merely 1.55 V at a current density of 10 mA cm−2 and demonstrates a long-term stability. The correlations between microstructural reconfiguration and sustainable electrocatalytic stability of P-FCMO@NF are deeply explored and verified. The work actually offers valuable insights that form a crucial foundation for the strategic design of innovative bifunctional electrocatalysts.

Thermal management of sodium-oxygen-hydrogen (Na-O-H) thermochemical water splitting for sustainable hydrogen production

Owing to environmental problems caused by the consumption of fossil fuels and the growing global demand for energy, interests in usage of hydrogen as a green energy carrier has grown. In particular, water is considered a prospect source for green hydrogen production. In this paper, a three-step sodium-oxygen-hydrogen (Na–O–H) thermochemical cycle, which is a newly developed cycle that can operate between 400 and 500 °C is implemented. Also, low number of steps, which results in less system complexity and easier system design is another advantage of the Na–O–H thermochemical cycle. In the first step of this study, a basic model of the three-step pure Na–O–H cycle is modeled in order to produce 1 kg/s of hydrogen. Moreover, output data from basic modeling is used for cycle energy management. Then, heat recovery is performed within the cycle streams to reduce the external energy demand and make the Na–O–H cycle more feasible. To achieve this objective, pinch method, which is an effective method for designing and optimizing plants is used. Several heat exchanger network designs have been developed and compared from different aspects. Finally, a design with the least heat requirement among others is selected and optimized based on total annualized cost objective function to introduce the optimum final design exchanger network. As a result of this work, it is found that using the final optimized design, external heating loads accounted for just 5.8% of the total load, while external cooling loads accounted for 19.3% of the total load. This implies that the Na–O–H thermochemical cycle recovered 74.7% of the energy required for heating and cooling of the streams. The implementation of the proposed heat exchanger network design boosts the overall energy efficiency of the Na–O–H thermochemical cycle. Using final heat recover scheme the overall efficiency of the cycle increased from 45.36% to 52.86%, representing an impressive 7.50% improvement. This significant achievement underscores the pivotal role of this study in developing an effective and optimized model for the Na–O–H thermochemical cycle, which holds great promise for future applications.