TiO2-CeO2/g-C3N4 S-scheme heterostructure composite for enhanced photo-degradation and hydrogen evolution performance with combined experimental and DFT study.

The g-C3N4/TiO2 nanocomposites (NCs) are fabricated by optimization of calcination and subsequent hydrothermal technique decorated with CeO2 nanoparticles (NPs) to build the g-C3N4/TiO2-CeO2 hybrid NCs. The chemical and surface characterizations of structural, morphological, elemental composition, optical, photo-degradation, HER performance and the DFT computation has been efficiently analyzed. The g-C3N4/TiO2-CeO2 composite photocatalysts (PCs) exhibit photocatalytic improved performance (∼97 %) for MB aqueous dye related to pristine g-C3N4 and g-C3N4/TiO2 composite PCs. The obtained k value of the g-C3N4/TiO2/CeO2 heterostructure composite PCs has around 0.0262 min-1 and 6.1, 2.6 and 1.5 times higher than to g-C3N4 (0.0043 min-1), g-C3N4/CeO2 (0.0099 min-1) and g-C3N4/TiO2 (0.0180 min-1) PCs respectively. Likewise, the synergistic probable S-scheme charge separation mechanism based on scavengers' tests and other values, which leads to effective separation of photo-excited (e--h+) pairs, whereas high degradation and more H2O molecules have photo-reduction to H2. The H2 evolution reaction (HER) and the electrochemical impedance spectroscopy (EIS) of the as-obtained samples were explored via electrochemical study. This exertion recommends that the rational strategy and building of g-C3N4/TiO2-CeO2 nano-heterostructures were beneficial for developing visible-light-driven recyclable PCs for ecological refinement.

Crystal structure and Hirshfeld surface analysis of 4-bromo-anilinium nitrate.

The title compound C4H7BrN+·NO3 - crystallizes in the monoclinic crystal system with space group P21/c. In the crystal, π-π stacking inter-actions and strong N-H⋯O and C-H⋯O hydrogen bonds link the cations and anions into layers parallel to the bc plane. The O⋯H/H⋯O inter-actions between the cation and anion are the major factor determining the crystal packing.