A comprehensive overview of the graphitic-carbon nitride computational approach: From basic properties to a wide range of applications
Computational researchers have discovered electrocatalytic and photocatalytic reaction processes and found novel g-C3N4 (Graphitic-Carbon Nitride) molecules for various uses. Due to its various applications, fine-tunability of band gap, structural flexibility, and ease of doping, much research has g...
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| Format: | Article |
| Language: | English |
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Elsevier
2024-06-01
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| Series: | Chemical Physics Impact |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667022423002475 |
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| author | G.Sudha Priyanga Gaurav Pransu Santosh Sampath |
| author_facet | G.Sudha Priyanga Gaurav Pransu Santosh Sampath |
| author_sort | G.Sudha Priyanga |
| collection | DOAJ |
| description | Computational researchers have discovered electrocatalytic and photocatalytic reaction processes and found novel g-C3N4 (Graphitic-Carbon Nitride) molecules for various uses. Due to its various applications, fine-tunability of band gap, structural flexibility, and ease of doping, much research has gone into enhancing its catalytic activity and energy storage. Its electronic properties are easily adjustable. To achieve effective photocatalytic water splitting, g-C3N4 must use band gap engineering and elemental doping to optimize its optical, electronic, and band gap, electron-hole recombination rate, conduction band minimum (CBM) and valence band maximum (VBM) positions. Doping electrocatalytic materials with foreign atoms and molecules and structural alterations creates an active site, increasing electrochemical activity. Li-ion batteries need texture and doping to increase lithium-ion intercalation and adsorption. Understanding chemical doping and g-C3N4 binding structure at the atomic and electronic levels is crucial to efficiently boost and regulate its potential contributions. Thus, we have concisely discussed structural engineering, chemical doping, and its consequences on g-C3N4. For convenience, this review has five sections. Section II follows the introduction. Section II discusses the structural properties of numerous C3N4 polymorphs, and Section III discusses the electrical and magnetic properties of structural faults on g-C3N4, chemical doping, and N-enriched g-C3N4. Section IV describes theoretical superconductor, spintronic, and Li and Na-ion battery applications of pristine and structurally modified g-C3N4. We concluded with some final reflections and a look ahead. |
| first_indexed | 2024-03-09T02:01:21Z |
| format | Article |
| id | doaj.art-f3c1e0d8457c40f8b260646b3d889970 |
| institution | Directory Open Access Journal |
| issn | 2667-0224 |
| language | English |
| last_indexed | 2025-03-21T16:26:37Z |
| publishDate | 2024-06-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Chemical Physics Impact |
| spelling | doaj.art-f3c1e0d8457c40f8b260646b3d8899702024-06-17T05:59:28ZengElsevierChemical Physics Impact2667-02242024-06-018100408A comprehensive overview of the graphitic-carbon nitride computational approach: From basic properties to a wide range of applicationsG.Sudha Priyanga0Gaurav Pransu1Santosh Sampath2Department of Physics, Research Institute for Natural Science, and Institute for High Pressure at Hanyang University, Hanyang University, 222 Wangsimni-ro, Seondong-Ku, Seoul 04763, Republic of KoreaInstitute of Physics, Bijenička Cesta 46, HR, Zagreb 10000, CroatiaDepartment of Mechanical Engineering, Sri Sivasubramaniya Nadar College of Engineering, Kalavakkam, Tamil Nadu 603110, India; Corresponding author.Computational researchers have discovered electrocatalytic and photocatalytic reaction processes and found novel g-C3N4 (Graphitic-Carbon Nitride) molecules for various uses. Due to its various applications, fine-tunability of band gap, structural flexibility, and ease of doping, much research has gone into enhancing its catalytic activity and energy storage. Its electronic properties are easily adjustable. To achieve effective photocatalytic water splitting, g-C3N4 must use band gap engineering and elemental doping to optimize its optical, electronic, and band gap, electron-hole recombination rate, conduction band minimum (CBM) and valence band maximum (VBM) positions. Doping electrocatalytic materials with foreign atoms and molecules and structural alterations creates an active site, increasing electrochemical activity. Li-ion batteries need texture and doping to increase lithium-ion intercalation and adsorption. Understanding chemical doping and g-C3N4 binding structure at the atomic and electronic levels is crucial to efficiently boost and regulate its potential contributions. Thus, we have concisely discussed structural engineering, chemical doping, and its consequences on g-C3N4. For convenience, this review has five sections. Section II follows the introduction. Section II discusses the structural properties of numerous C3N4 polymorphs, and Section III discusses the electrical and magnetic properties of structural faults on g-C3N4, chemical doping, and N-enriched g-C3N4. Section IV describes theoretical superconductor, spintronic, and Li and Na-ion battery applications of pristine and structurally modified g-C3N4. We concluded with some final reflections and a look ahead.http://www.sciencedirect.com/science/article/pii/S2667022423002475Chemical dopingElectronic propertiesFirst principles studyGraphitic carbon nitrideStructural properties |
| spellingShingle | G.Sudha Priyanga Gaurav Pransu Santosh Sampath A comprehensive overview of the graphitic-carbon nitride computational approach: From basic properties to a wide range of applications Chemical Physics Impact Chemical doping Electronic properties First principles study Graphitic carbon nitride Structural properties |
| title | A comprehensive overview of the graphitic-carbon nitride computational approach: From basic properties to a wide range of applications |
| title_full | A comprehensive overview of the graphitic-carbon nitride computational approach: From basic properties to a wide range of applications |
| title_fullStr | A comprehensive overview of the graphitic-carbon nitride computational approach: From basic properties to a wide range of applications |
| title_full_unstemmed | A comprehensive overview of the graphitic-carbon nitride computational approach: From basic properties to a wide range of applications |
| title_short | A comprehensive overview of the graphitic-carbon nitride computational approach: From basic properties to a wide range of applications |
| title_sort | comprehensive overview of the graphitic carbon nitride computational approach from basic properties to a wide range of applications |
| topic | Chemical doping Electronic properties First principles study Graphitic carbon nitride Structural properties |
| url | http://www.sciencedirect.com/science/article/pii/S2667022423002475 |
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