Catalysis Communications · 2024 · 19 citations · 49 references
EngineeringLa-doped Zro2/g-c3n4 NanocompositeInorganic PhotochemistryNanoheterogeneous CatalysisPhoto-electrochemical CellChemistryPhotoelectrochemistryChemical EngineeringCharge Density DifferencePhotocatalysisLa-doped Zro2/g-c3n4 NanocompositesHybrid MaterialsMaterials SciencePhotochemistryElectrostatic Potential ResultsEosin Yellow PhotodegradationPhotodegradationTheoretical StudiesFunctional Materials
In this study, La-doped ZrO2/g-C3N4 nanocomposites were synthesized and remarkably, 0.8% La-doped ZrO2/g-C3N4 exhibited an outstanding degradation efficiency of 87% (k = 11.301 × 10−3 min−1). The enhanced photocatalytic performance is due to the synergistic effects of lanthanum and g-C3N4, which promote charge separation and increase the number of active sites. A built-in electric field exists according to the charge density difference and electrostatic potential results. At 300 K, the nanocomposite is thermally, energetically, and dynamically stable. Our results provide valuable insights into the design and development of efficient photocatalysts for the removal of organic contaminants from aqueous environments.
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Optimized norm-conserving Vanderbilt pseudopotentials
D. R. Hamann · Physical Review B · 2013 · 3.1K citations · Full text