2023
DOI: 10.1016/j.apcata.2023.119190
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Investigating the spatial charge density flow and molecular structure of g-C3N4 photocatalyst from a computational perspective

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Cited by 22 publications
(11 citation statements)
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“…The strategic utilization of p–n heterojunction formation for hydrogen evolution represents a visionary approach in order to enhance the effectiveness of the water-splitting reaction. For that, researchers have been drawn to metal-free graphitic carbon nitride (g-C 3 N 4 ) because of its remarkable optoelectronic capabilities, two-dimensional (2D) layered structure, and affordability . g-C 3 N 4 has a band gap of 2.7 eV with the positioning of the valence band (VB) and the conduction band (CB) as such that adequate overpotential can be conveniently achieved for HER.…”
Section: Introductionmentioning
confidence: 99%
“…The strategic utilization of p–n heterojunction formation for hydrogen evolution represents a visionary approach in order to enhance the effectiveness of the water-splitting reaction. For that, researchers have been drawn to metal-free graphitic carbon nitride (g-C 3 N 4 ) because of its remarkable optoelectronic capabilities, two-dimensional (2D) layered structure, and affordability . g-C 3 N 4 has a band gap of 2.7 eV with the positioning of the valence band (VB) and the conduction band (CB) as such that adequate overpotential can be conveniently achieved for HER.…”
Section: Introductionmentioning
confidence: 99%
“…ZnO has band gap around 3.3 eV synonymous to TiO 2 . It is cheap, easy to synthesize, chemically stable, nontoxic and environmental friendly in nature [85][86][87] and has been proven by multiple studies that it is an outstanding catalyst for hydrogen generation through overall water splitting. However ZnO has some disadvantages including improper utilization of visible light, rapid recombination of photo-induced charge carriers, quick backward reactions.…”
Section: Hydrogen Energy Applications Of Ceramicsmentioning
confidence: 99%
“…Researchers are looking for renewable and clean energy sources to replace fossil fuels in order to address these challenging issues. Due to their effectiveness in reducing pollution and greenhouse gas emissions as well as their environmental friendliness, green energy and storage systems, such as solar, wind, hydro, fuel cells, and electrochemical systems, have drawn a lot of attention. , As a result, a great deal of study has been done over the past few decades. The catalytic conversion of various forms of abundant energy into chemical energy via photo/electrocatalysis is recognized as a highly desirable technology for achieving the goals of sustainable development. To solve the world’s energy crises and pollution problems, photocatalytic water splitting, which is inspired by the process of photosynthesis, can be carried out with the use of abundant solar energy. , It has been reported that a number of semiconductors, including Cu 2 O, graphitic carbon nitride (g-C 3 N 4 ), metal sulfides, MoO 3 –SrTiO 3 , and others, are promising photocatalysts for a variety of photoredox reactions because of their low cost, high stability, and eco-friendly attributes. …”
Section: Introductionmentioning
confidence: 99%