Improving the photocatalytic activity of s-triazine based graphitic carbon nitride through metal decoration: an ab initio investigation

2016 ◽  
Vol 18 (38) ◽  
pp. 26466-26474 ◽  
Author(s):  
K. Srinivasu ◽  
Brindaban Modak ◽  
Swapan K. Ghosh
Keyword(s):  
Photocatalytic Activity ◽  
Density Functional ◽  
Carbon Nitride ◽  
Electronic Band Structure ◽  
Density Functional Theory Calculations ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Electronic Band ◽  
Solar Water Splitting ◽  
Metal Decoration

Through density functional theory calculations, we attempted to tune the electronic band structure of poly s-triazine based graphitic carbon nitride by decorating it with different metal atoms and clusters for improving its photocatalytic activity towards solar water splitting.

scholarly journals Graphitic Carbon Nitride for Photocatalytic Air Treatment

Materials ◽  
2020 ◽  
Vol 13 (13) ◽  
pp. 3038
Author(s):  
Michal Baudys ◽  
Šárka Paušová ◽  
Petr Praus ◽  
Vlasta Brezová ◽  
Dana Dvoranová ◽  
...  
Keyword(s):  
Uv Irradiation ◽  
Environmental Remediation ◽  
Carbon Nitride ◽  
Electronic Band Structure ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Paramagnetic Resonance ◽  
Electronic Band ◽  
Acetaldehyde Oxidation ◽  
Earth Abundant

Graphitic carbon nitride (g-C3N4) is a conjugated polymer, which recently drew a lot of attention as a metal-free and UV and visible light responsive photocatalyst in the field of solar energy conversion and environmental remediation. This is due to its appealing electronic band structure, high physicochemical stability and earth-abundant nature. In the present work, bulk g-C3N4 was synthesized by thermal decomposition of melamine. This material was further exfoliated by thermal treatment. S-doped samples were prepared from thiourea or further treatment of exfoliated g-C3N4 by mesylchloride. Synthesized materials were applied for photocatalytic removal of air pollutants (acetaldehyde and NOx) according to the ISO 22197 and ISO 22197-1 methodology. The efficiency of acetaldehyde removal under UV irradiation was negligible for all g-C3N4 samples. This can be explained by the fact that g-C3N4 under irradiation does not directly form hydroxyl radicals, which are the primary oxidation species in acetaldehyde oxidation. It was proved by electron paramagnetic resonance (EPR) spectroscopy that the dominant species formed on the irradiated surface of g-C3N4 was the superoxide radical. Its production was responsible for a very high NOx removal efficiency not only under UV irradiation (which was comparable with that of TiO2), but also under visible irradiation.

A strategy for enhancing the photoactivity of g-C3N4-based single-atom catalysts via sulphur doping: a theoretical study

2021 ◽  
Vol 23 (11) ◽  
pp. 6632-6640
Author(s):  
Yanqing Guo ◽  
Meng Xia ◽  
Mingkun Zhang ◽  
Jing Zou ◽  
Yue You ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Photocatalytic Activity ◽  
Density Functional ◽  
Carbon Nitride ◽  
Theoretical Study ◽  
Density Functional Theory Calculations ◽  
Graphitic Carbon Nitride ◽  
Single Atom ◽  
Functional Theory ◽  
The Density Functional Theory

The sulphur-doping strategy was proposed to enhance the incorporation of single Pt atoms in monolayer graphitic carbon nitride and the density functional theory calculations verified it has superb photocatalytic activity.

Graphene/graphitic carbon nitride hybrids for catalysis

2017 ◽  
Vol 4 (5) ◽  
pp. 832-850 ◽  
Author(s):  
Qing Han ◽  
Nan Chen ◽  
Jing Zhang ◽  
Liangti Qu
Keyword(s):  
Mechanical Properties ◽  
Carbon Nitride ◽  
Electronic Band Structure ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Large Specific Surface Area ◽  
Thermal And Mechanical Properties ◽  
Electronic Band ◽  
Physicochemical Stability ◽  
Photochemical Catalysis

Benefiting from the large specific surface area, outstanding electronic, optical, thermal and mechanical properties of graphene, as well as the exceptional electronic band structure and good physicochemical stability of graphitic carbon nitride (g-C3N4), graphene/g-C3N4hybrids present great potential in electrochemical and photochemical catalysis.

Carbon nanodot decorated graphitic carbon nitride: new insights into the enhanced photocatalytic water splitting from ab initio studies

2015 ◽  
Vol 17 (46) ◽  
pp. 31140-31144 ◽  
Author(s):  
Guoping Gao ◽  
Yan Jiao ◽  
Fengxian Ma ◽  
Yalong Jiao ◽  
Eric Waclawik ◽  
...  
Keyword(s):  
Density Functional ◽  
Carbon Nitride ◽  
Light Response ◽  
Density Functional Theory Calculations ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Carbon Nanodots ◽  
Functional Theory ◽  
Visible Light Response ◽  
Hybrid Carbon

Density functional theory calculations reveal that hybrid carbon nanodots and graphitic carbon nitride can form a type-II van der Waals heterojunction, leading to significant reduction of band gap and enhanced visible light response.

scholarly journals Graphitic Carbon Nitride-Based Composite in Advanced Oxidation Processes for Aqueous Organic Pollutants Removal: A Review

Processes ◽  
2020 ◽  
Vol 9 (1) ◽  
pp. 66
Author(s):  
Yu Shen ◽  
Antonio J. Dos santos-Garcia ◽  
María José Martín de Vidales
Keyword(s):  
Organic Pollutants ◽  
Advanced Oxidation Processes ◽  
Carbon Nitride ◽  
Electronic Band Structure ◽  
Advanced Oxidation ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Electronic Band ◽  
Oxidation Processes ◽  
Pollutants Removal

In recent decades, a growing number of organic pollutants released have raised worldwide concern. Graphitic carbon nitride (g-C3N4) has drawn increasing attention in environmental pollutants removal thanks to its unique electronic band structure and excellent physicochemical stability. This paper reviews the recent progress of g-C3N4-based composites as catalysts in various advanced oxidation processes (AOPs), including chemical, photochemical, and electrochemical AOPs. Strategies for enhancing catalytic performance such as element-doping, nanostructure design, and heterojunction construction are summarized in detail. The catalytic degradation mechanisms are also discussed briefly.

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