A brief review of s-triazine graphitic carbon nitride

Nonadiabatic Molecular Dynamics with Extended Density Functional Tight-Binding: Application to Nanocrystals and Periodic Solids

“…We demonstrate how the developed methodology can be used to model excited-state dynamics in unprecedentedly large Si nanocrystals (NCs), as well as in periodic solids, such as a graphitic carbon nitride monolayer and a titanium-based metal–organic framework (MOF). In the last decade, colloidal NCs have demonstrated their potential to replace the forerunner silicon solar cells that work similarly to dye-sensitized solar cells while having flexibility in production with size-tunable optoelectronic properties due to their quantum confinement properties. − Among them, silicon NCs (Si NCs) are of particular interest due to lack of their toxicity, the element’s pre-existing prevalence in the electronic industry, and its natural abundance. − Our second system of interest, the graphitic carbon nitride monolayer, has recently attracted a lot of interest as a material for photocatalytic applications such as solar-driven water splitting. − The third system is the MIL-125-NH 2 MOF, which is based on titanium and has different photovoltaic and photocatalytic applications such as in CO 2 reduction. − In this work, we assess the quality of electronic structure and NACs as computed using the xTB, the GFN2 parametrization, and DFT methods. We assess the new scheme for computing NACs that utilizes the Libint2 library for analytical computation of time–overlap integrals.…”

Production of mesoporous carbon nitrides and their photocatalytic properties for degradation of organic pollutants

“…[1][2][3] The g-C 3 N 4 -based materials show promising properties as metal-free, cost-effective, and eco-friendly materials in various applications such as photocatalysts, bioimaging probes, and optical sensors. [4][5][6] In particular, bandgap energies suitable to utilize visible light and porous structures enable them to be attracting photocatalysts for various reactions including degrading organic pollutants, water splitting, and CO 2 reductions. 7 The development of efficient photocatalysts utilizing sustainable solar energy is an important research area to solve energy and environmental problems.…”

“…Graphitic carbon nitride (g‐C 3 N 4 ), which is consisting of tri‐ s ‐triazine structure, is the most stable form among C, N binary allotropes 1–3 . The g‐C 3 N 4 ‐based materials show promising properties as metal‐free, cost‐effective, and eco‐friendly materials in various applications such as photocatalysts, bioimaging probes, and optical sensors 4–6 . In particular, bandgap energies suitable to utilize visible light and porous structures enable them to be attracting photocatalysts for various reactions including degrading organic pollutants, water splitting, and CO 2 reductions 7 .…”

Performance study of erbium-doped modified graphite-phase carbon nitride catalyzed degradation of RhB

“…It is a planar two-dimensional lamellar network structure similar to graphene, which is formed by infinite extension of triazine ring (C3N3) and 3murs-triazine ring (C3N3). The two-dimensional lamellar network is bonded by van der Waals force [5]. Graphite-phase carbon nitride (g-C3N4) is a narrow band gap semiconductor (2.7eV), which has a suitable band position (conduction band site -1.3eV, valence band site 1.4eV), so light absorption can be carried out around 420nm.…”

“…Graphite-phase carbon nitride (g-C3N4) is a narrow band gap semiconductor (2.7eV), which has a suitable band position (conduction band site -1.3eV, valence band site 1.4eV), so light absorption can be carried out around 420nm. At present, the main methods for preparing graphite carbon nitride (g-C3N4) phase are high temperature thermal Polycondensation, solvothermal method and electrochemical deposition method [5], in which high temperature thermal polymerization selects one or more precursors and high temperature induces Polycondensation of precursor compounds. Generally, urea, thiourea, monocyanamide, dicyandiamide and melamine are used as precursors, and the photocatalytic activity of graphite carbon nitride (g-C3N4) prepared by different precursors is different.…”