2018
DOI: 10.1039/c7ra12444a
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The improvement of photocatalytic activity of monolayer g-C3N4viasurface charge transfer doping

Abstract: The improvement of optical adsorption for monolayer g-C3N4via surface charge transfer doping.

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Cited by 22 publications
(12 citation statements)
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“…This is lower than the experimental band gap due to DFT limitations, and this result is consistent with previous studies. [55,56] P-doping in g-C 3 N 4 does not lead to a remarkable change in the theoretical band gap (E g = 1.17 eV), which is in agreement with the experimental results that is lower than the calculated band gap using the HSE06 functional. [23] P-doping leads to the Fermi level shifting, which makes the P-doped g-C 3 N 4 an n-type semiconductor.…”
Section: Geometrical and Electronic Structuresupporting
confidence: 85%
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“…This is lower than the experimental band gap due to DFT limitations, and this result is consistent with previous studies. [55,56] P-doping in g-C 3 N 4 does not lead to a remarkable change in the theoretical band gap (E g = 1.17 eV), which is in agreement with the experimental results that is lower than the calculated band gap using the HSE06 functional. [23] P-doping leads to the Fermi level shifting, which makes the P-doped g-C 3 N 4 an n-type semiconductor.…”
Section: Geometrical and Electronic Structuresupporting
confidence: 85%
“…In addition, the VB edge is composed of the 2p x , 2p y , and 2 s orbitals of the N atoms, which is in agreement with the previous reports. [56,58] In the case of PCN, the VB edge consists of the p x , p y , and s orbitals of the N atoms, while the CB edge is formed by the contribution of the p z orbitals of carbon, nitrogen, and phosphorus atoms (see Figure 6B). Thus, the width of the CB increases due to the interaction of the p z orbitals of P with N and C atoms.…”
Section: Geometrical and Electronic Structurementioning
confidence: 99%
“…Meanwhile, the holes in the VB of g-C 3 N 4 are consumed by methyl alcohol, thus resulting in efficient separation of photogenerated carriers in TCNQ-C 3 N 4 and a much enhanced photocatalytic performance. [26][27][28] However, excess TCNQ would reduce the photoactivities of the composites due to fewer reaction sites and less incident light acting on the surface of g-C 3 N 4 .…”
Section: Possible Photocatalytic Mechanismmentioning
confidence: 99%
“…The conjugative p-electron structures of polymer hybridized photocatalysts exhibit elevated photoactivity because of rapid photogenerated charger transfer. [19][20][21] Although conjugated polymers have been demonstrated to form polymer/C 3 N 4 heterojunctions, [22][23][24][25][26][27][28][29][30] there are few researches which have applied TCNQ on pure g-C 3 N 4 for hydrogen generation utilizing water splitting with visible light.…”
Section: Introductionmentioning
confidence: 99%
“…31 In contrast, the surface charge transfer doping (SCTD) approach is nondestructive and does not induce any bulk defects into the semiconductor lattice. 34,35 And SCTD has been applied to tune both the electronic and optical properties of low dimensional materials, [36][37][38][39][40][41][42] which is of fundamental importance to broaden their applications in water splitting and environmental pollutants degradation elds. For example, surfacedoped diamond with MoO 3 yielded the concentration of record sheet hole (2 Â 10 14 cm À2 ) and launched the quest for its implementation in microelectronic devices, which proposed and demonstrated a general strategy of developing an atomic layer deposition of a hydrogenated MoO 3 layer as a novel efficient surface charge acceptor for transistors.…”
Section: Introductionmentioning
confidence: 99%