Photocatalytic improvement of Mn-adsorbed g-C3N4

Zhang, Weibin; Zhang, Zhijun; Kwon, Sangwoo; Zhang, Fuchun; Boandoh, Stephen; Kim, Ki Kang; Jung, Ranju; Kwon, Sera; Chung, Kwun‐Bum; Yang, Woochul

doi:10.1016/j.apcatb.2017.01.034

Cited by 139 publications

(49 citation statements)

References 43 publications

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“…As demonstrated by X‐ray diffraction (XRD) pattern in Figure b, both Mn–C 3 N 4 and C 3 N 4 show two characteristic peaks at 13.0° and 27.8°, attributed to the (100) plane of triazine within the layers and the (002) plane of interplanar stacking with conjugated aromatic systems . The two characteristic peaks of Mn–C 3 N 4 are not shifted, indicating both the interlayer stacking and the triazine units of C 3 N 4 are not changed by intercalating Mn . This is in line with our coordination model with Mn deposited at the central of sixfold cavity in C 3 N 4 , as detailed below.…”

Section: Resultssupporting

confidence: 84%

“…[28] The two characteristic peaks of Mn-C 3 N 4 are not shifted, indicating both the interlayer stacking and the triazine units of C 3 N 4 are not changed by intercalating Mn. [28,29] This is in line with our coordination model with Mn deposited at the central of sixfold cavity in C 3 N 4 , as detailed below. No peak of Mn oxide is detected.…”

Section: Synthesis and Structure Of Mn-c 3 N 4 With Mn-n-c Motifssupporting

confidence: 86%

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Boosting Oxygen Evolution Kinetics by Mn–N–C Motifs with Tunable Spin State for Highly Efficient Solar‐Driven Water Splitting

Sun

Shen

Jiang

et al. 2019

Advanced Energy Materials

142

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IntroductionConverting solar light into chemical energy such as hydrogen via artificial photosynthesis is a promising approach to address Solar-driven water splitting is in urgent need for sustainable energy research, for which accelerating oxygen evolution kinetics along with charge migration is the key issue. Herein, Mn 3+ within π-conjugated carbon nitride (C 3 N 4 ) in form of Mn-N-C motifs is coordinated. The spin state (e g orbital filling) of Mn centers is regulated by controlling the bond strength of Mn-N. It is demonstrated that Mn serves as intrinsic oxygen evolution reaction (OER) site and the kinetics is dependent on its spin state with an optimized e g occupancy of ≈0.95. Specifically, the governing role of e g occupancy originates from the varied binding strength between Mn and OER intermediates. Benefiting from the rapid spin state-mediated OER kinetics, as well as extended optical absorption (to 600 nm) and accelerated charge separation by intercalated metal-to-ligand state, Mn-C 3 N 4 stoichiometrically splits pure water with H 2 production rate up to 695.1 µmol g −1 h −1 under simulated sunlight irradiation (AM1.5), and achieves an apparent quantum efficiency of 4.0% at 420 nm, superior to most solid-state based photocatalysts to date. This work for the first time correlates photocatalytic redox kinetics with the spin state of active sites, and suggests a nexus between photocatalysis and spin theory.

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Section: Resultssupporting

confidence: 84%

Section: Synthesis and Structure Of Mn-c 3 N 4 With Mn-n-c Motifssupporting

confidence: 86%

Boosting Oxygen Evolution Kinetics by Mn–N–C Motifs with Tunable Spin State for Highly Efficient Solar‐Driven Water Splitting

Sun

Shen

Jiang

et al. 2019

Advanced Energy Materials

142

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“…66,82,83 The energy variation provoked by the decoration of metal atom is usually nominated as adsorption energy, 66,84 or binding energy. 85 Commonly, metal decorated g-C 3 N 4 systems investigated by DFT calculation include alkali metal decorated g-C 3 N 4 and transition metal (in the fourth and fifth periods) decorated g-C 3 N 4 . Zhang et al 85 found that the decoration of transition metal atoms (Sc, Ti, V, Cr, Mn, Fe, Co, and Ni) resulted in various band edge potentials of bulk g-C 3 N 4 ( Figure 7B).…”

Section: In Various Literaturesmentioning

confidence: 99%

“…85 Commonly, metal decorated g-C 3 N 4 systems investigated by DFT calculation include alkali metal decorated g-C 3 N 4 and transition metal (in the fourth and fifth periods) decorated g-C 3 N 4 . Zhang et al 85 found that the decoration of transition metal atoms (Sc, Ti, V, Cr, Mn, Fe, Co, and Ni) resulted in various band edge potentials of bulk g-C 3 N 4 ( Figure 7B). It can be inferred that the photogenerated electrons of Sc-, Ti-, and V-decorated g-C 3 N 4 systems had strong reduction ability, and the band edge potentials of Cr-, Mn-, and Fe-decorated g-C 3 N 4 systems F I G U R E 5 A, Band structure of P-doped bulk g-C 3 N 4 at C site; B, optical absorption coefficient; and C, band edge potential of pure and P-doped g-C 3 N 4 .…”

Section: In Various Literaturesmentioning

confidence: 99%

Review on DFT calculation of s‐triazine‐based carbon nitride

et al. 2019

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To improve the photocatalytic performance of pristine photocatalysts, element doping, construction of composites and fabrication of novel nanostructures are recognized as universal modification methods. These methods have been experimentally verified to be effective in manifold photocatalytic application over various photocatalysts. Density functional theory (DFT) calculation is a powerful and fundamental tool to pinpoint the intrinsic mechanism of the enhanced photocatalytic activity. And it holds the degree of precision ranging from atoms, molecules to unit cells. Herein, recent DFT calculation research progress of modified s-triazine-based graphitic carbon nitride (g-C 3 N 4 ) systems as photocatalysts is summarized. To specify, we collected information of doping site, formation energy, geometric, and electronic properties. We also discussed the synergistic effect of work function, Fermi level and band edge position on the built-in electric field, transfer route of photogenerated charge carriers and photocatalytic mechanism (traditional type Ⅱ or direct Z-scheme heterostructure). Moreover, we analyzed the geometric configuration, band structure, and stability of g-C 3 N 4 nanocluster, nanoribbon, and nanotube. Finally, future perspective in the further theoretical revelation of g-C 3 N 4 -based photocatalysts is proposed.

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“…[1][2][3][4][5] However, the traditional bulk g-C 3 N 4 exhibited small specific surface area and high photoelectron-hole recombination rate, which limited its application in photocatalysis. [6,7] Many efforts have been attempted to improve the photocatalytic property such as morphology control to increase its surface area, metallic or nonmetallic doping to adjust the band structure and compounding with other semiconductors to accelerate the carrier transport. [8][9][10] g-C 3 N 4 with various morphology such as nanotubes, nanowires, nanosheets, porous structure and quantum dot were studied, [11][12][13][14][15] among which, three-dimensional (3D) network g-C 3 N 4 has attracted comprehensive interests for its large accessible surface, more photocatalytic sites and good light adsorption ability.…”

Section: Introductionmentioning

confidence: 99%

Z‐scheme 3 D g‐C₃N₄/TiO_2−x Heterojunctions with High Photocatalytic Efficiency

Liu

Yang

et al. 2020

ChemistrySelect

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The 3D network structure composed of g-C 3 N 4 nanorods was prepared via treatment of bulk g-C 3 N 4 with hot HNO 3 followed by adjustment the pH and lyophilization. Then the 3D g-C 3 N 4 / TiO 2À x heterojunctions with a strong interface was constructed via loading TiO 2À x nanoparticles onto the 3D g-C 3 N 4 networks under hydrothermal conditions. The structure and morphology of the 3D g-C 3 N 4 /TiO 2À x heterojunctions was characterized by infrared spectrum (FTIR), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM) and field emission transmission electron microscope (TEM). The photo-degradation rate of Doxycycline HCl for 3D g-C 3 N 4 /TiO 2À x heterojunction is about 4 times of that original bulk-C 3 N 4 and 2.75 times of 3D g-C 3 N 4. The improved photocatalytic efficiency is attributed to 3D g-C 3 N 4 networks, which provides the more transfer channel to accelerate the electron transportation and the strong heterointerface between g-C 3 N 4 and TiO 2À x which promotes the separation of the electronholes. Besides, more adsorption capacity of the pollutant onto the 3D g-C 3 N 4 /TiO 2À x also contributed to this high efficiency.

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Photocatalytic improvement of Mn-adsorbed g-C3N4

Cited by 139 publications

References 43 publications

Boosting Oxygen Evolution Kinetics by Mn–N–C Motifs with Tunable Spin State for Highly Efficient Solar‐Driven Water Splitting

Boosting Oxygen Evolution Kinetics by Mn–N–C Motifs with Tunable Spin State for Highly Efficient Solar‐Driven Water Splitting

Review on DFT calculation of s‐triazine‐based carbon nitride

Z‐scheme 3 D g‐C₃N₄/TiO_2−x Heterojunctions with High Photocatalytic Efficiency

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Photocatalytic improvement of Mn-adsorbed g-C3N4

Cited by 139 publications

References 43 publications

Boosting Oxygen Evolution Kinetics by Mn–N–C Motifs with Tunable Spin State for Highly Efficient Solar‐Driven Water Splitting

Boosting Oxygen Evolution Kinetics by Mn–N–C Motifs with Tunable Spin State for Highly Efficient Solar‐Driven Water Splitting

Review on DFT calculation of s‐triazine‐based carbon nitride

Z‐scheme 3 D g‐C3N4/TiO2−x Heterojunctions with High Photocatalytic Efficiency

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Product

Resources

About

Z‐scheme 3 D g‐C₃N₄/TiO_2−x Heterojunctions with High Photocatalytic Efficiency