Precision orientation of hydrogen evolution performance of iron-based electrocatalysts empowered by machine learning: From electronic structure regulation to rational construction
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OpenAlex topics: Machine Learning in Materials Science · Electrocatalysts for Energy Conversion · CO2 Reduction Techniques and Catalysts
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References (100+)
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1. Bimetallic [Co/K] hydrogen evolution catalyst for electrochemical terminal C-H functionalization10.1038/s41467-025-63914-0 ↗
2. Preparation of Ce-Fe2O3/Al2O3 catalyst for simultaneous degradation of benzodiacetone and reduction of Cr(VI) by electro-Fenton process: performance, mechanism, degradation pathways10.1016/j.jallcom.2025.184745 ↗
3. Bioinspired Sulfo oxygen bridges optimize interfacial water structure for enhanced hydrogen oxidation and evolution reactions10.1038/s41467-025-61871-2 ↗
4. Conjugated topologically confined composite electrolytes for robust high-voltage and high-temperature semi-solid-state lithium metal batteries10.1039/D5EE04892C ↗
5. Structural elucidation and mechanisms-guided engineering of a promiscuous esterase for enhanced polyurethane depolymerization10.1016/j.eng.2026.02.008 ↗
6. In-situ synthesis of Fe-MOR molecular sieve catalyst for energy-efficient CO2 capture
7. Electrifying industrial hydrogen peroxide production via soft interfacial molecular mediation10.1038/s41557-025-01940-7 ↗
8. Combined ion-expressway and Li+-transit Lane in asymmetric polymer electrolyte enables high-voltage solid-state lithium-metal-batteries
9. Efficient degradation of organophosphorus pesticides and in situ phosphate recovery via NiFe-LDH activated peroxymonosulfate10.1016/j.cej.2025.169107 ↗
10. Efficient ammonia sequestration by Al-based MOF composites: synergistic regulation of supports and loading strategies and investigation of the adsorption mechanism10.1016/j.jics.2026.102422 ↗
11. Activating silicon for high hydrogen conversion and sustainable anode recovery10.1038/s41467-025-63086-x ↗
12. Interlayer-bonded Ni/MoO2 electrocatalyst for efficient hydrogen evolution reaction with stability over 6000 h at 1000 mA cm−210.1038/s41467-025-59933-6 ↗
13. 1,2-Amino oxygenation of alkenes with hydrogen evolution reaction10.1038/s41467-022-32084-8 ↗
14. Shih Y-C. Ecosystem integration of marine conservation and coastal development in Taiwan [J]. Front. Environ. Sci. 14:1764841. doi: 10.3389/fenvs.2026.1764841.10.3389/fenvs.2026.1764841 ↗
15. Disassembly of chiral hydrogen-bonded frameworks into single-unit organometallic helices for enantioselective amyloid inhibition10.1038/s41467-025-63459-2 ↗
16. Single-molecule dual-anchor design enables extreme-condition lithium metal batteries through solvation reconstruction and cathode polymerization10.1002/anie.202513321 ↗
17. Interfacial solvation pre-organizes the transition state of the oxygen evolution reaction
18. Enhancing the toughness of ultra-high performance concrete through improved fiber-matrix interface bonding10.1016/j.conbuildmat.2025.142616 ↗
19. The role of solid electrolytes in suppressing joule heating effect for scalable H2O2 electrosynthesis10.1021/acssuschemeng.5c06536 ↗
20. Introducing nanocrystalline/amorphous heterostructures on laminated FeSiBCr to synchronously enhance absorption, expand absorption bandwidth and reduce matching thickness10.1016/j.actphy.2026.100283 ↗
21. Facilitating alkaline hydrogen evolution kinetics via interfacial modulation of hydrogen-bond networks by porous amine cages10.1038/s41467-025-56962-z ↗
22. A systematic hybrid method for real-time prediction of system conditions in natural gas pipeline networks10.1016/j.jngse.2018.06.033 ↗
23. Pd hydride metallene aerogels with lattice hydrogen participation for efficient hydrogen evolution reaction
24. Machine learning accelerated exploration of ternary organic heterojunction photocatalysts for sacrificial hydrogen evolution10.1021/jacs.3c10586 ↗
25. Conformational engineering of solvent molecules for high-voltage and fast-charging lithium metal batteries10.1002/anie.202508486 ↗
26. Soft/hard interface design of bismuth nanodots embedded in Ti3C2Tx MXene for highly efficient dechlorination battery deionization10.1016/j.desal.2025.119183 ↗
27. Chemical pressure-driven enhancement of the hydrogen evolving activity of Ni2P from nonmetal surface doping interpreted via machine learning10.1021/jacs.8b00947 ↗
28. Self-supported transition-metal-based electrocatalysts on iron foam for water splitting
29. Durability and damage evolution of steel fiber and Nano-SiO2 reinforced concrete under freeze-thaw and salt erosion environments based on acoustic emission and computed tomography analysis
30. Dual-functional hierarchical NiFe hydroxylphosphate electrocatalyst on copper dendrites for hydrogen and oxygen evolution10.1016/j.cej.2025.164622 ↗
31. Iron induced electronic structure modulation of cobalt hydrogen phosphite for efficient freshwater/seawater splitting10.1016/j.cej.2025.162097 ↗
32. Breaking structural symmetry of atomically dispersed Co sites for boosting oxygen reduction
33. Atomistic insights into the hydration behavior of N-A-S-H Gel via Ca2+ substitution: A molecular dynamics simulation study10.1016/j.jnoncrysol.2025.123892 ↗
34. Design and comparison study of a novel linear fresnel reflector solar ORC-driven hydrogen production system using different working fluids10.1016/j.csite.2025.106187 ↗
35. Electrochemical CO2 capture via a gas diffusion layer for sustainable hardness ion removal10.1016/j.seppur.2026.137572 ↗
36. Synergistic surface plasmon resonance effect of Ag and S-scheme heterojunction in Ag/AgBr/Bi24O31Cl10 towards enhanced enrofloxacin removal: performance, degradation pathways and synergistic mechanism10.1016/j.envres.2025.123249 ↗
37. Multi-objective machine learning for health-oriented O3 and PM2.5 control: integrating VOC photochemical consumption and source apportionment10.1016/j.jhazmat.2026.141483 ↗
38. Nitrate‐iron co-modification nickel hydroxide with strong built-in electric field for oxygen evolution10.1016/j.cej.2025.167268 ↗
39. External uniaxial compressive strain induced built-in electric field in bilayer two-dimensional As2S3 for photocatalytic water splitting: a first-principles study10.1016/j.apsusc.2020.147701 ↗
40. Highly efficient and stable vanadium-based electrocatalysts: stoichiometric iron vanadium sulfides for water-oxidation at large current densities10.1016/j.cej.2023.146981 ↗
41. Experimental investigation on the countercurrent imbibition distance and factors influencing the imbibition recovery of carbonated fracturing fluid10.2118/218205-PA ↗
42. Zinc-complex orchestrating pyroptosis for hypoxia-tolerant photoimmunotherapy10.1002/anie.202525200 ↗
43. Exploration of multiscale design strategies of electrocatalysts for efficient electrochemical hydrogen and oxygen evolution reactions
44. Polarized electric field-mediated graphitic carbon nitride-based S-scheme heterostructure for efficient photocatalytic removal of bisphenol A10.1016/j.apsusc.2024.161739 ↗
45. Rapid reconstruction of nickel iron hydrogen cyanamide with in-situ produced proton acceptor for efficient oxygen evolution
46. Efficient adsorptive removal of phosphonate antiscalant HEDP by Mg-Al LDH [J/OL]
47. Efficient green hydrogen production through metal–organic framework-derived Ni and Co mediated iron selenide hexagonal nanorods and wireless coupled with photovoltaics for urea and alkaline water electrolysis
48. The GaPS2Se2 monolayer: a novel stable 2D Janus semiconductor with anisotropic properties for spontaneous water splitting under the irradiation of solar light10.1039/D2TC03445J ↗
49. Significant effects of electrophilicity in oral antidiabetic drugs upon conjugative transfer of drug-resistance plasmids in activated sludge and the mechanisms10.1016/j.watres.2025.125250 ↗
50. Programmable multifunctional auxetic metamaterials via concave rib architecture10.1016/j.engstruct.2026.122501 ↗
51. Coordination engineering on novel 2D pentagonal NiN2 for bifunctional oxygen electrocatalysts10.1016/j.apsusc.2022.156256 ↗
52. Controlled Fe2+ release and cycling in a dual-cathode induced electro-Fenton system for efficient organophosphorus degradation and phosphate recovery
53. Enhancement of hydrogen evolution activity by tailoring the electronic structure in ruthenium-heteroatom-doped cobalt iron phosphide nanoframes10.1016/j.apcatb.2023.123327 ↗
54. Ultra-wide microwave absorption with thin thickness in multi-layered Fe3O4-coated FeSiCr composites10.1016/j.apsusc.2025.162303 ↗
55. Coordination engineering of B/N-doped graphene with phosphorus-transition metal diatomic catalysts for enhanced oxygen bifunctionality electrocatalysis
56. Efficient trifunctional electrocatalysts with iron single atoms electronically coupled with adjacent ruthenium nanoclusters for zinc-air battery-powered water splitting
57. Accelerating the design and optimization of catalysts for the hydrogen evolution reaction in transition metal phosphides using machine learning
58. Multiscale modeling of hydraulic fracture propagation and design optimization in heterogeneous oil–gas reservoirs
59. Synergistic effects of carbonated water flooding coupled with surfactant for EOR and CO2 storage: Pore-Scale mechanisms and influencing factors analysis10.1016/j.petsci.2026.03.044 ↗
60. Oxygen vacancies activate electrophilic-nucleophilic dual sites in Mo-doped NiOOH for hydrogen evolution via urea-assisted electrocatalysis approaching industrial-level current densities
61. Regulating charge separation by structure adjusting in pyrene-based 1D COFs for efficient photocatalytic hydrogen evolution10.1016/j.cej.2025.168347 ↗
62. Efficient hydrogen evolution electrode and in-situ monitoring bubbles system based on surface plasmon resonance imaging10.1016/j.cej.2025.168287 ↗
63. Interface ultrafast charge transfer of 1T-MoS2/ZnCdS QDs schottky junction for efficient photocatalytic hydrogen evolution
64. Reconfiguration of the FeN4 active site by S element and its effect on hydrogen evolution performance of Fe-carbon dots SACs
65. Regulating on photocatalytic overall water splitting performance of gallium thiophosphate based on transition metal doping: a first-principles study
66. Ortho-difluorination engineering and Cu coordination in pyrene COFs: synergistic built-in electric fields for efficient hydrogen evolution
67. Dynamic spectral modulation devices based on reversible metal electrodeposition: principles, modification strategies, and applications10.1016/j.pmatsci.2026.101664 ↗
68. Synergy of covalent metal-organic frameworks and MXene enables efficient photocatalysts with accelerated charge transfer kinetics for hydrogen evolution reaction
69. Engineering bimetallic CuAu to suppress hydrogen evolution and enhance charge transfer for improved photoelectrochemical nitrogen reduction
70. Mechanistic insights into hydrogen evolution from methanol photoreforming on metal-loaded anatase: development of a microkinetic model10.1016/j.cej.2025.168334 ↗
71. Ni12P5/MgIn2S4 schottky junctions with sulfur vacancies and oxygen doping synergistic promotes ultraefficient photocatalytic hydrogen evolution
72. Regulating interfacial dual active sites on Co/N carbon nanocages enables oriented charge flow on ZnIn2S4 for cooperative photocatalytic hydrogen evolution and highly selective oxidation
73. Electronic modulation of inverse catalysts tailors adsorption energetics and local environment for enhanced alkaline hydrogen evolution reaction
74. Designing interfacial edge microenvironments of cobalt phosphide quantum dots/graphitic carbon nitride to modulate electron delocalization for ultrafast photocatalytic hydrogen evolution10.1016/j.cej.2025.168790 ↗
75. TIDES: traffic intelligence with DeepSeek-Enhanced spatial–temporal prediction10.1109/JSAC.2025.3643397 ↗
76. Binary direct vs. ternary electron-mediated Z-scheme heterojunctions: unraveling pathway-engineered carrier dynamics for photocatalytic hydrogen evolution
77. Schottky heterojunctions enabled by covalent organic frameworks and copper electron sponge for boosting photocatalytic hydrogen evolution
78. Water-soluble SNS-ligated dinuclear cobalt complex for dual electrocatalytic and photocatalytic hydrogen evolution10.1016/j.cej.2025.166206 ↗
79. Local environment-aware prediction of catalytic activity for the hydrogen evolution reaction in alloy nanoparticles via machine learning interatomic potentials10.1016/j.cej.2025.167929 ↗
80. Unveiling d-band synergy in anti-sandwich dual-atom catalysts for hydrogen evolution reaction: high-throughput DFT screening and machine learning insights10.1016/j.apsusc.2025.164256 ↗
81. Effects of ultrasonic surface rolling process on microstructure and mechanical properties of metastable Fe50Mn30Co10Cr10 high-entropy alloy fabricated by laser directed energy deposition10.1016/j.jmrt.2025.09.057 ↗
82. Machine learning-assisted design of transition metal-doped 2D WSn2N4 electrocatalysts for enhanced hydrogen evolution reaction10.1016/j.ijhydene.2024.10.011 ↗
83. Interpretable machine learning for chiral induced symmetry breaking of spin density boosting hydrogen evolution10.1016/j.jechem.2024.11.066 ↗
84. Facile microwave synthesis of kilogram-scale electrocatalysts with nanocarbons bridged cobalt active sites for enhanced oxygen electrocatalysis
85. Accelerating the screening of catalysts for hydrogen evolution reaction in graphene materials based on DFT calculations and machine learning
86. Rational design of nitrogen-doped transition metal-N4-graphene single atom catalysts for hydrogen evolution reaction: theoretical calculations and machine learning
87. Unraveling the synergistic mechanisms of dual-atom catalysts on BeN4 substrates for enhanced hydrogen evolution reaction: a machine learning-assisted first-principles study10.1016/j.apsusc.2024.161745 ↗
88. Machine learning-assisted the Ag/Ni(OH)2 heterostructure design for boosting electrocatalytic hydrogen evolution through charge redistribution10.1016/j.fuel.2024.133593 ↗
89. Integrating experimental and machine learning approaches for predictive analysis of photocatalytic hydrogen evolution using Cu/g-C3N410.1016/j.renene.2024.121737 ↗
90. Machine learning-assisted optimization of element ratios in high-entropy alloys for hydrogen evolution reaction10.1016/j.pnsc.2025.05.001 ↗
91. Machine learning assisted screening of non-metal doped MXenes catalysts for hydrogen evolution reaction10.1016/j.ijhydene.2025.02.469 ↗
92. Real-time observation of breathing vortex solitons in a Yb:CALGO laser10.1002/lpor.202501758 ↗
93. Interference mechanism of electrolyte cations on vanadium-oxygen binary doped carbon nitride for hydrogen evolution from artificial seawater splitting: coupling experiments, DFT calculations and machine learning
94. Sub-100 Fs vortex beams generated from a Yb:CALGO laser10.1002/lpor.202500819 ↗
95. Machine learning assisted screening of nitrogen-doped graphene-based dual-atom hydrogen evolution electrocatalysts
96. A progressive polyhedral approximation method for nonlinear PDE-constrained electricity-water nexus dispatch10.1109/TSG.2025.3553737 ↗
97. Hierarchical aggregation-embedded emergency scheduling of coupled electricity-watershed networks with heterogeneous flexibility resources under extreme drought events10.1109/TSTE.2025.3635922 ↗
98. Spatio-temporal power outage risk prediction for interdependent urban electricity and drainage networks under rainstorm disasters
99. Extended hybrid modulation for multistage constant-current wireless EV charging10.1109/TPEL.2025.3549840 ↗
100. A hybrid modulation scheme for efficiency optimization and ripple reduction in secondary-side controlled wireless power transfer systems10.1109/TTE.2024.3517701 ↗