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29. Interface engineering in CeO2 (111) facets decorated with CdSe quantum dots for photocatalytic hydrogen evolution
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27. Electrosynthesis of ammonia using porous bimetallic Pd–Ag nanocatalysts in liquid- and gas-phase systems
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24. Few-atomic-layers iron for hydrogen evolution from water by photoelectrocatalysis
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23. Local modulation of single-atomic Mn sites for enhanced ambient ammonia electrosynthesis
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22. Superior sensing properties of black phosphorus as gas sensors: A case study on the volatile organic compounds
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21. Structural evolution of oxygen on the surface of TiAlN: Ab initio molecular dynamics simulations
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19. Effect of indium doping on motions of a-prismatic edge dislocations in wurtzite gallium nitride
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16. Single molybdenum center supported on N-doped black phosphorus as an efficient electrocatalyst for nitrogen fixation
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15. Vacancy-assisted core transformation and mobility modulation of a-type edge dislocations in wurtzite GaN
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12. Simultaneous enhancement of near-infrared emission and dye photodegradation in a racemic aspartic acid compound via metal-ion modification
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11. Enhanced protein adsorption in fibrous substrates treated with zeolitic imidazolate framework-8 (ZIF-8) nanoparticles
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10. Controllable phase stabilities in transition metal dichalcogenides through curvature engineering: First-principles calculations and continuum prediction
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9. Wafer-scale synthesis of monolayer WSe2: A multi-functional photocatalyst for efficient overall pure water splitting
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8. Photoelectrochemical CO2 reduction into syngas with the metal/oxide interface
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7. Rolled-up SiOx/SiNx microtubes with an enhanced quality factor for sensitive solvent sensing
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6. Effect of topological patterning on self-rolling of nanomembranes
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5. Polycyclic aromatic hydrocarbons adsorption onto graphene: A DFT and AIMD study
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4. Predictive modeling of misfit dislocation induced strain relaxation effect on self-rolling of strain-engineered nanomembranes
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3. Phase engineering of MoS2 through GaN/AlN substrate coupling and electron doping
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2. Thermodynamic modeling of the Co–Hf system supported by key experiments and first-principles calculations
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1. A first-principles study of structure, elasticity and thermal decomposition of Ti1–xTMxN alloys (TM = Y, Zr, Nb, Hf, and Ta)
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