Influence of nonmetal dopants on charge separation of graphitic carbon nitride by time-dependent density functional theory
Abstract
Photocatalysts are crucial materials for green energy production and environmental remediation. Nonmetal-doped graphitic carbon nitride (g-C3N4) has attracted much attention in recent years because of its low-cost and desired photocatalytic performances, such as a high charge separation efficiency and broad visible light absorption. In this study, we conducted time-dependent density functional theory calculations, and a wavefunction analysis to...
Paper Details
Title
Influence of nonmetal dopants on charge separation of graphitic carbon nitride by time-dependent density functional theory
Published Date
Jan 1, 2020
Volume
22
Issue
2
Pages
647 - 657
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