Innovative strategies to significantly boost photocatalytic hydrogen production: from high-performance photocatalysts to potential industrialization

Hongbo Cui , Chengjie Chen , Xutong Lu , Qian Wang , Guijian Guan , Ming-Yong Han

Energy Materials ›› 2026, Vol. 6 ›› Issue (1) : 600003

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Energy Materials ›› 2026, Vol. 6 ›› Issue (1) :600003 DOI: 10.20517/energymater.2025.128
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Innovative strategies to significantly boost photocatalytic hydrogen production: from high-performance photocatalysts to potential industrialization

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Abstract

To address global energy and environmental challenges, photocatalytic hydrogen production has emerged as a clean and promising technology that utilizes solar energy to generate green hydrogen, producing only water as a byproduct. This review highlights recent advances in strategies for significantly enhancing photocatalytic hydrogen evolution to promote its industrialization. Key approaches include morphology optimization for improved light absorption and charge transport, metal hybridization or incorporation to enhance catalytic activity and selectivity, and interface engineering to facilitate charge separation and reaction kinetics. Additionally, the emerging photocatalysts, such as two-dimensional transition metal carbides, metal-organic frameworks, covalent organic frameworks, and high-entropy materials provide superior alternatives. Furthermore, this review discusses multifunctional enhancements for practical applications and showcases cutting-edge large-scale demonstrations, including 100 m2 panel arrays and compound parabolic concentrator reactors, which achieve a solar-to-hydrogen efficiency of 9% and 300 h stability in seawater splitting. These advances underscore the techno-economic potential of photocatalytic hydrogen production and bridge fundamental research with industrial implementation. Finally, the current challenges and future research trends are pointed out for designing high-performance photocatalysts and offering insight into the feasible strategies to develop the industrial application of photocatalytic hydrogen production.

Keywords

Energy conversion / photocatalysis / hydrogen / water / high performance

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Hongbo Cui, Chengjie Chen, Xutong Lu, Qian Wang, Guijian Guan, Ming-Yong Han. Innovative strategies to significantly boost photocatalytic hydrogen production: from high-performance photocatalysts to potential industrialization. Energy Materials, 2026, 6(1): 600003 DOI:10.20517/energymater.2025.128

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References

[1]

Demski C,Whitmarsh L.National context is a key determinant of energy security concerns across Europe.Nat Energy2018;3:882-8

[2]

Mazur A.Does increasing energy or electricity consumption improve quality of life in industrial nations?.Energy Policy2011;39:2568-72

[3]

Pasten C.Energy and quality of life.Energy Policy2012;49:468-76

[4]

Chen B,Gu B.Managing nitrogen to achieve sustainable food-energy-water nexus in China.Nat Commun2025;16:4804 PMCID:PMC12102181

[5]

Li X,Li L,Sun Y.Opportunity of atomically thin two-dimensional catalysts for promoting CO2 electroreduction.Acc Chem Res2020;53:2964-74

[6]

Johnson N,Kammen DM,Mckenna R.Realistic roles for hydrogen in the future energy transition.Nat Rev Clean Technol2025;1:351-71

[7]

Evro S,Tomomewo OS.Carbon neutrality and hydrogen energy systems.Int J Hydrogen Energy2024;78:1449-67

[8]

Zhu W,Zhao M,Wang Z.Hydrogen production by electrocatalysis using the reaction of acidic oxygen evolution: a review.Environ Chem Lett2022;20:3429-52

[9]

Zhao S,Wang J.Unveiling the mysteries of hydrogen spillover phenomenon in hydrogen evolution reaction: fundamentals, evidence and enhancement strategies.Coord Chem Rev2025;524:216321

[10]

de Oliveira DS,Velasquez CE.Hydrogen energy for change: SWOT analysis for energy transition.Sustain Energy Technol Assess2024;72:104063

[11]

Butler C,Sahadevan V,Graham DP.Hydrogen storage capacity of freeze cast microporous monolithic composites.Mater Adv2024;5:6864-72

[12]

Bhuiyan MM.Hydrogen as an alternative fuel: a comprehensive review of challenges and opportunities in production, storage, and transportation.Int J Hydrogen Energy2025;102:1026-44

[13]

Gomonov K,Handoko CT.The growing demand for hydrogen: сurrent trends, sectoral analysis, and future projections.Unconv Resour2025;6:100176

[14]

Szablowski L,Dybinski O.Review of steam methane reforming as a method of hydrogen production.Energy2025;316:134540

[15]

Wang B,Guo K.Hydrogen production with near-zero carbon emission through thermochemical conversion of H2-rich industrial byproduct gas.Energy Conv Manag2025;332:119777

[16]

Vanatta M,Allen T,Craig MT.Technoeconomic analysis of small modular reactors decarbonizing industrial process heat.Joule2023;7:713-37

[17]

Rocha F,Van Droogenbroek K.Proton exchange membrane-like alkaline water electrolysis using flow-engineered three-dimensional electrodes.Nat Commun2024;15:7444 PMCID:PMC11358494

[18]

Gunawan D,Li Q.Materials advances in photocatalytic solar hydrogen production: integrating systems and economics for a sustainable future.Adv Mater2024;36:e2404618

[19]

Bie C,Yu J.Challenges for photocatalytic overall water splitting.Chem2022;8:1567-74

[20]

Zheng D,Wang J,Klemeš JJ.Nanocatalysts in photocatalytic water splitting for green hydrogen generation: challenges and opportunities.J Clean Prod2023;414:137700

[21]

Zhang J,Cao S.Recent progress for hydrogen production by photocatalytic natural or simulated seawater splitting.Nano Res2020;13:2313-22

[22]

Dang V,Le M,Wang YH.Photocatalytic hydrogen production from seawater splitting: current status, challenges, strategies and prospective applications.Chem Eng J2024;484:149213

[23]

Li T,Jin Z.S-scheme heterojunction in photocatalytic hydrogen production.J Mater Sci Technol2024;169:82-104

[24]

Zhang X,Cui H,Han MY.Metal-facilitated photocatalytic nanohybrids: rational design and promising environmental applications.Chem Asian J2021;16:3038-54

[25]

Liu Z,Guan G.Atomically substitutional engineering of transition metal dichalcogenide layers for enhancing tailored properties and superior applications.Nano Micro Lett2024;16:95 PMCID:PMC10805767

[26]

Abhishek B,Rao AS.Challenges in photocatalytic hydrogen evolution: Importance of photocatalysts and photocatalytic reactors.Int J Hydrogen Energy2024;81:1442-66

[27]

Su H,Shi R.Recent advances in quantum dot catalysts for hydrogen evolution: synthesis, characterization, and photocatalytic application.Carbon Energy2023;5:e280

[28]

Fujishima A.Electrochemical photolysis of water at a semiconductor electrode.Nature1972;238:37-8

[29]

Chen Z,Sun K.Plasmonic coupling-boosted photothermal composite photocatalyst for achieving near-infrared photocatalytic hydrogen production.J Colloid Interface Sci2024;661:12-22

[30]

Shi W,Liu Y.Onion-ring-like g-C3N4 modified with Bi3TaO7 quantum dots: a novel 0D/3D S-scheme heterojunction for enhanced photocatalytic hydrogen production under visible light irradiation.Renewable Energy2022;182:958-68

[31]

Zhao X,Huang S.Z-scheme photocatalytic production of hydrogen peroxide over Bi4O5Br2/g-C3N4 heterostructure under visible light.Appl Catal B Environ2020;278:119251

[32]

Han X,Hu Y.Ti3C2 MXene-derived carbon-doped TiO2 coupled with g-C3N4 as the visible-light photocatalysts for photocatalytic H2 generation.Appl Catal B Environ2020;265:118539

[33]

Lazaar N,Qin S.Single-atom catalysts on C3N4: minimizing single atom Pt loading for maximized photocatalytic hydrogen production efficiency.Angew Chem Int Ed2025;64:e202416453

[34]

Tsao CW,Kao JC.Dual-plasmonic Au@Cu7S4 yolk@shell nanocrystals for photocatalytic hydrogen production across visible to near infrared spectral region.Nat Commun2024;15:413 PMCID:PMC10776726

[35]

Qi S,Xu T.Water-Stable high-entropy metal-organic framework nanosheets for photocatalytic hydrogen production.Adv Mater2024;36:e2403328

[36]

Wang Y,Li H.Molecular engineering for modulating photocatalytic hydrogen evolution of fully conjugated 3D covalent organic frameworks.Angew Chem Int Ed2024;63:e202404726

[37]

Zhang Y,Xin X.Internal quantum efficiency higher than 100% achieved by combining doping and quantum effects for photocatalytic overall water splitting.Nat Energy2023;8:504-14

[38]

Xue J,Xu G.Multiple exciton generation boosting over 100% quantum efficiency photoelectrochemical photodetection.Nat Commun2025;16:5275 PMCID:PMC12144185

[39]

Qin F,San X.Spontaneous exciton dissociation in Sc-doped rutile TiO2 for photocatalytic overall water splitting with an apparent quantum yield of 30.J Am Chem Soc2025;147:12897-907

[40]

Ning X.Photocorrosion inhibition of CdS-based catalysts for photocatalytic overall water splitting.Nanoscale2020;12:1213-23

[41]

Zubair M,Svenum I,Yang J.Core-shell particles of C-doped CdS and graphene: a noble metal-free approach for efficient photocatalytic H2 generation.Green Energy Environ2020;5:461-72

[42]

Zhang W,Xing Y.Sandwich-like P-doped h-BN/ZnIn2S4 nanocomposite with direct Z-scheme heterojunction for efficient photocatalytic H2 and H2O2 evolution.Chem Eng J2022;442:136151

[43]

Lei H,Wu Z.Crystal facet-dependent photocatalytic hydrogen evolution from ultra-stable Cu-Zr/Hf heterobimetallic metal-organic frameworks.Angew Chem Int Ed2025;64:e202509572

[44]

Chen W,Wang F.Nonepitaxial gold-tipped ZnSe hybrid nanorods for efficient photocatalytic hydrogen production.Small2020;16:e1902231

[45]

Chen R,Ma Y.Rational design of isostructural 2D porphyrin-based covalent organic frameworks for tunable photocatalytic hydrogen evolution.Nat Commun2021;12:1354 PMCID:PMC7921403

[46]

Zhou P,Chao Y.Single-atom Pt-I3 sites on all-inorganic Cs2SnI6 perovskite for efficient photocatalytic hydrogen production.Nat Commun2021;12:4412 PMCID:PMC8292376

[47]

Xiao Q,Guo X.S-scheme heterojunction constructed by ZnCdS and CoWO4 nano-ions promotes photocatalytic hydrogen production.Surf Interface2023;43:103577

[48]

Hao P,Lu J.Magnetic-field-induced activation of S-scheme heterojunction with core-shell structure for boosted photothermal-assisted photocatalytic H2 production.Fuel2024;373:132394

[49]

Shi Y,Xu Z,Shi W.Construction of full solar-spectrum available S-scheme heterojunction for boosted photothermal-assisted photocatalytic H2 production.Chem Eng J2023;459:141549

[50]

Lu J,Chen Z.Photothermal effect of carbon dots for boosted photothermal-assisted photocatalytic water/seawater splitting into hydrogen.Chem Eng J2023;453:139834

[51]

Zhu D,Zhong C.Porous microreactor chip for photocatalytic seawater splitting over 300 hours at atmospheric pressure.Nano Micro Lett2025;17:188 PMCID:PMC11914653

[52]

Liu T,Tang M.Redox-mediated decoupled seawater direct splitting for H2 production.Nat Commun2024;15:8874 PMCID:PMC11473778

[53]

Zhou J,Gu H.Photocatalytic hydrogen evolution: recent advances in materials, modifications, and photothermal synergy.Int J Hydrogen Energy2025;115:113-30

[54]

Chen Z,Sun H,Shi W.Well-designed three-dimensional hierarchical hollow tubular g-C3N4/ZnIn2S4 nanosheets heterostructure for achieving efficient visible-light photocatalytic hydrogen evolution.J Colloid Interface Sci2022;607:1391-401

[55]

He Z,He G.Insight into synergy of Mn active sites and spin polarization electrons in Mn-incorporated ZnIn2S4 for boosting photocatalytic hydrogen evolution coupled with benzyl alcohol oxidation.Chem Eng J2025;506:159957

[56]

Zhao S,Mao M,Li X.Protonated g-C3N4 cooperated with Co-MOF doped with Sm to construct 2D/2D heterojunction for integrated dye-sensitized photocatalytic H2 evolution.J Colloid Interface Sci2021;583:435-47

[57]

Huang Y,Zhang J,Dawson G.Construction of 1D/2D W18O49/porous g-C3N4 S-scheme heterojunction with enhanced photocatalytic H2 evolution.Acta Phys Chim Sin2021;0:2108028-0

[58]

Feng X,Zhou J.Heterostructured core-shell CoS1.097@ZnIn2S4 nanosheets for enhanced photocatalytic hydrogen evolution under visible light.Chem Eng J2023;457:141192

[59]

Sun L,Lu P,Wang L.Enhanced photocatalytic hydrogen production and simultaneous benzyl alcohol oxidation by modulating the Schottky barrier with nano high-entropy alloys.Chin J Catal2023;51:90-100

[60]

Edalati P,Watanabe M.High-entropy oxynitride as a low-bandgap and stable photocatalyst for hydrogen production.J Mater Chem A2021;9:15076-86

[61]

Zhao X,Lei M,Li Y.Synergistic effect of morphology regulation of LaNiO3 S-scheme heterojunction for enhanced photocatalytic hydrogen production.J Mater Sci Technol2026;245:238-48

[62]

Liu Z,Dong L.Enhancement mechanism of photocatalytic hydrogen production activity of CeO2/CdS by morphology regulation.ACS Appl Energy Mater2023;6:7722-36

[63]

Hidalgo-jiménez J,Ishihara T.Understanding high photocatalytic activity of the TiO2 high-pressure columbite phase by experiments and first-principles calculations.J Mater Chem A2023;11:23523-35

[64]

Shundo Y,Akrami S.Oxygen vacancy-rich high-pressure rocksalt phase of zinc oxide for enhanced photocatalytic hydrogen evolution.J Colloid Interface Sci2024;666:22-34

[65]

Wang Q,Jia Q.Scalable water splitting on particulate photocatalyst sheets with a solar-to-hydrogen energy conversion efficiency exceeding 1%.Nat Mater2016;15:611-5

[66]

Wu B,Chen T,Huang J.Plasmon-enhanced photocatalytic hydrogen production on Au/TiO2 hybrid nanocrystal arrays.Nano Energy2016;27:412-9

[67]

Cheng C,Zeng R,Huang C.Schottky barrier tuning via surface plasmon and vacancies for enhanced photocatalytic H2 evolution in seawater.Appl Catal B Environ2022;310:121321

[68]

Wang L,Zhao K.Hydrogen production performance of active Ce/N co-doped SrTiO3 for photocatalytic water splitting.Int J Hydrogen Energy2022;47:39047-57

[69]

Shen Z,Wang M.Multi-defect Pd-based catalyst doped with rare earth element La for ethanol-assisted energy-saving hydrogen production.J Colloid Interface Sci2025;697:137969

[70]

Tang W,Chen Y.Noble-metal-free Bi-OZIS nanohybrids for sacrificial-agent-free photocatalytic water splitting: With long-lived photogenerated electrons.Sep Purif Technol2025;357:130047

[71]

Chen Y,Sun W.Engineering the atomic interface with single platinum atoms for enhanced photocatalytic hydrogen production.Angew Chem Int Ed2020;59:1295-301

[72]

Hu S,Huang J.Introducing hydrogen-bonding microenvironment in close proximity to single-atom sites for boosting photocatalytic hydrogen production.J Am Chem Soc2024;146:20391-400

[73]

Wang H,Zhang W,Jiang HL.Heteroatom-doped Ag25 nanoclusters encapsulated in metal-organic frameworks for photocatalytic hydrogen production.Angew Chem Int Ed2024;63:e202401443

[74]

Yu Z,Torres-pinto A.Single-atom Ir and Ru anchored on graphitic carbon nitride for efficient and stable electrocatalytic/photocatalytic hydrogen evolution.Appl Catal B Environ2022;310:121318

[75]

Wu C,Liu H,Li Q.Insight into synergistic effect of Ti3C2 MXene and MoS2 on anti-photocorrosion and photocatalytic of CdS for hydrogen production.Appl Catal B Environ2023;330:122653

[76]

Tan M,Yu C.Boosting photocatalytic hydrogen production via interfacial engineering on 2D ultrathin Z-scheme ZnIn2S4/g-C3N4 heterojunction.Adv Funct Materials2022;32:2111740

[77]

Wang J,Hao Q.Promoting charge separation in CuInS2/CeO2 photocatalysts by an S-scheme heterojunction for enhanced photocatalytic H2 production.Chem Eng J2024;493:152534

[78]

Yang J,Li W.Electron donor-acceptor interface of TPPS/PDI boosting charge transfer for efficient photocatalytic hydrogen evolution.Adv Sci2022;9:e2201134

[79]

Guan G,You M.Hybridized 2D nanomaterials toward highly efficient photocatalysis for degrading pollutants: current status and future perspectives.Small2020;16:e1907087

[80]

Guan G.Functionalized hybridization of 2D nanomaterials.Adv Sci2019;6:1901837 PMCID:PMC6891915

[81]

Zhang Y,Yuan C.In-situ formation of SrTiO3/Ti3C2 MXene Schottky heterojunction for efficient photocatalytic hydrogen evolution.J Colloid Interface Sci2024;653:482-92

[82]

Gu H,Wang X.Robust construction of CdSe nanorods@Ti3C2 MXene nanosheet for superior photocatalytic H2 evolution.Appl Catal B Environ2023;328:122537

[83]

Li H,Gao T,Ren Y.Ti3C2 MXene co-catalyst assembled with mesoporous TiO2 for boosting photocatalytic activity of methyl orange degradation and hydrogen production.Chin J Catal2022;43:461-71

[84]

Xu H,Huang J,Zhao C.In situ construction of protonated g-C3N4/Ti3C2 MXene Schottky heterojunctions for efficient photocatalytic hydrogen production.Chin J Catal2021;42:107-14

[85]

Hu T,Zhang J.Noble-metal-free Ni2P modified step-scheme SnNb2O6/CdS-diethylenetriamine for photocatalytic hydrogen production under broadband light irradiation.Appl Catal B Environ2020;269:118844

[86]

Wei Y,Wang J.Rationally designed dual cocatalysts on ZnIn2S4 nanoflowers for photoredox coupling of benzyl alcohol oxidation with H2 evolution.J Mater Chem A2024;12:18986-92

[87]

Xu M,Sun K.Interfacial microenvironment modulation boosting electron transfer between metal nanoparticles and MOFs for enhanced photocatalysis.Angew Chem Int Ed Engl2021;60:16372-6

[88]

Li Z,Ma S.Three-component donor-π-acceptor covalent-organic frameworks for boosting photocatalytic hydrogen evolution.J Am Chem Soc2023:8364-74

[89]

Han C,Jin S,Jiang J.Rational design of conjugated microporous polymer photocatalysts with definite D-π-A structures for ultrahigh photocatalytic hydrogen evolution activity under natural sunlight.ACS Catal2023;13:204-12

[90]

Li Y,He H.In situ photodeposition of platinum clusters on a covalent organic framework for photocatalytic hydrogen production.Nat Commun2022;13:1355 PMCID:PMC8924255

[91]

Hsu WL,Yeh AC.Clarifying the four core effects of high-entropy materials.Nat Rev Chem2024;8:471-85

[92]

Edalati P,Razavi-khosroshahi H,Ishihara T.Photocatalytic hydrogen evolution on a high-entropy oxide.J Mater Chem A2020;8:3814-21

[93]

Hai HTN,Nishibori M,Edalati K.Photoreforming of plastic waste into valuable products and hydrogen using a high-entropy oxynitride with distorted atomic-scale structure.Appl Catal B Environ Energy2025;365:124968

[94]

Chen ZW,Gariepy Z,Singh CV.High-throughput and machine-learning accelerated design of high entropy alloy catalysts.Trends Chem2022;4:577-9

[95]

Chang Y,Bai Y.High-entropy alloy electrocatalysts screened using machine learning informed by quantum-inspired similarity analysis.Matter2024;7:4099-113

[96]

Zhang L,Qin H,Li H.Artificial intelligence for catalyst design and synthesis.Matter2025;8:102138

[97]

Hisatomi T,Nishiyama H,Domen K.Materials and systems for large-scale photocatalytic water splitting.Nat Rev Mater2025;10:769-82

[98]

Holmes-gentle I,Suter C.Kilowatt-scale solar hydrogen production system using a concentrated integrated photoelectrochemical device.Nat Energy2023;8:586-96

[99]

Sun H,Shi W.High-crystalline/amorphous g-C3N4 S-scheme homojunction for boosted photocatalytic H2 production in water/simulated seawater: interfacial charge transfer and mechanism insight.Appl Surf Sci2022;593:153281

[100]

Wang C,Wang Z.Salt-assisted construction of hydrophilic carbon nitride photocatalysts with abundant water molecular adsorption sites for efficient hydrogen production.Appl Catal B Environ Energy2024;350:123902

[101]

Zhao W,Cong M.Nanoscale covalent organic frameworks for enhanced photocatalytic hydrogen production.Nat Commun2024;15:6482 PMCID:PMC11294449

[102]

Yuan Y,Robatjazi H.Earth-abundant photocatalyst for H2 generation from NH3 with light-emitting diode illumination.Science2022;378:889-93

[103]

Wei Q,Hou J,Cao F.Direct solar photocatalytic hydrogen generation with CPC photoreactors: system development.Solar Energy2017;153:215-23

[104]

Nishiyama H,Nakabayashi M.Photocatalytic solar hydrogen production from water on a 100-m2 scale.Nature2021;598:304-7

[105]

Pinaud BA,Seitz LC.Technical and economic feasibility of centralized facilities for solar hydrogen production via photocatalysis and photoelectrochemistry.Energy Environ Sci2013;6:1983-2002

[106]

Guo S,Li J.Boosting photocatalytic hydrogen production from water by photothermally induced biphase systems.Nat Commun2021;12:1343 PMCID:PMC7910610

[107]

Zhao Y,Zhu J.A hydrogen farm strategy for scalable solar hydrogen production with particulate photocatalysts.Angew Chem Int Ed2020;59:9653-8

[108]

Zhou P,Ma Y.Solar-to-hydrogen efficiency of more than 9% in photocatalytic water splitting.Nature2023;613:66-70

[109]

Ran J,Li FT,Du A.Ti3C2 MXene co-catalyst on metal sulfide photo-absorbers for enhanced visible-light photocatalytic hydrogen production.Nat Commun2017;8:13907 PMCID:PMC5512649

[110]

Hai HTN,Edalati K.Boosting hydrogen and methane formation on a high-entropy photocatalyst by integrating atomic d0/d10 electronic junctions and microscopic P/N heterojunctions.Int J Hydrogen Energy2025;162:150762

[111]

Wang J,Wang R.High-entropy alloy-enhanced ZnCdS nanostructure photocatalysts for hydrogen production.Appl Catal B Environ Energy2025;362:124763

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