A Li–F co-doped g-C3N4/TiO2-B(001) heterostructure as an efficient hydrogen evolution photocatalyst

Xiaojia Yuan, Shuhan Tang and Xiaojie Liu

Sustainable Energy Fuels, 2023, 7, 1633
DOI: 10.1039/D3SE00003F

A highly efficient Z-scheme B-doped g-C3N4/SnS2photocatalyst for CO2reduction reaction: a computational study

Yue-Lin Wang, Yu Tian, Zhong-Ling Lang, Wei Guan and Li-Kai Yan

J. Mater. Chem. A, 2018, 6, 21056
DOI: 10.1039/C8TA07352J

Directional electron delivery via a vertical channel between g-C3N4 layers promotes photocatalytic efficiency

Jieyuan Li, Wen Cui, Yanjuan Sun, Yinghao Chu, Wanglai Cen and Fan Dong

J. Mater. Chem. A, 2017, 5, 9358
DOI: 10.1039/C7TA02183F

Density functional theory-based modeling of the half-metallic g-C3N4/CoN4 heterojunction for photocatalytic water splitting reaction

Dhilshada. V. N, Aiswarya Chandran, Sabyasachi Sen and Mausumi Chattopadhyaya

Phys. Chem. Chem. Phys., 2024, 26, 21117
DOI: 10.1039/D4CP00929K

Metal-free half-metallicity in a high energy phase C-doped gh-C3N4system: a high Curie temperature planar system

Indrani Choudhuri, Gargee Bhattacharyya, Sourabh Kumar and Biswarup Pathak

J. Mater. Chem. C, 2016, 4, 11530
DOI: 10.1039/C6TC04163A

Modulation of the electronic properties and photocatalytic performance of black phase monolayer GeSe by noble metal doping

Yafei Zhao, Xinzhong Li, Hehe Li and Liang He

New J. Chem., 2021, 45, 15378
DOI: 10.1039/D1NJ02933A

A new precursor to synthesize g-C3N4 with superior visible light absorption for photocatalytic application

Saisai Yuan, Qitao Zhang, Bin Xu, Sixiao Liu, Jinquan Wang, Ju Xie, Ming Zhang and Teruhisa Ohno

Catal. Sci. Technol., 2017, 7, 1826
DOI: 10.1039/C7CY00213K

g-C3N4/TiO2-B{100} heterostructures used as promising photocatalysts for water splitting from a hybrid density functional study

Xiaojia Yuan and Xiaojie Liu

Phys. Chem. Chem. Phys., 2022, 24, 17703
DOI: 10.1039/D2CP01507B

The improvement of photocatalytic activity of monolayer g-C3N4viasurface charge transfer doping

F. L. Yang, F. F. Xia, J. Hu, C. Z. Zheng, J. H. Sun and H. B. Yi

RSC Adv., 2018, 8, 1899
DOI: 10.1039/C7RA12444A

Boosting interlayer charge transfer in polymeric carbon nitride by Mo ions for efficient photocatalytic H2 evolution

Feng Liu, Wencheng Li, Xi Rao, Shaohui Zheng and Yongping Zhang

Energy Adv., 2024, 3, 231
DOI: 10.1039/D3YA00485F

Ultrafast hydrogen production in boron/oxygen-codoped graphitic carbon nitride revealed by nonadiabatic dynamics simulations

Huijuan Yang, Rongliang Wu, Wei Li and Jin Wen

Phys. Chem. Chem. Phys., 2024, 26, 14205
DOI: 10.1039/D4CP01085J

One-step preparation of sulfur-doped porous g-C3N4 for enhanced visible light photocatalytic performance

Xin Xiao, Yihui Wang, Qiu Bo, Xingyou Xu and Dongen Zhang

Dalton Trans., 2020, 49, 8041
DOI: 10.1039/D0DT00299B

Dimension-dependent band alignment and excitonic effects in graphitic carbon nitride: a many-body perturbation and time-dependent density functional theory study

W. F. Espinosa-García, J. M. Osorio-Guillén and C. Moyses Araujo

RSC Adv., 2017, 7, 44997
DOI: 10.1039/C7RA07134E

Graphitic carbon nitride (g-C3N4)-based photocatalysts for solar hydrogen generation: recent advances and future development directions

Amene Naseri, Morasae Samadi, Ali Pourjavadi, Alireza Z. Moshfegh and Seeram Ramakrishna

J. Mater. Chem. A, 2017, 5, 23406
DOI: 10.1039/C7TA05131J

Graphitic carbon nitride supported Ni–Co dual-atom catalysts beyond Ni1(Co1) single-atom catalysts for hydrogen production: a density functional theory study

Yue He, Furui Chen and Gang Zhou

Phys. Chem. Chem. Phys., 2024, 26, 14364
DOI: 10.1039/D4CP00616J

Single s-block and p-block metal sites for photocatalytic degradation of organic pollutants and hydrogen evolution

Yafei Zhao, Qiuze Li, Song Lu, Xinzhong Li, Kuiying Nie and Liang He

New J. Chem., 2022, 46, 18157
DOI: 10.1039/D2NJ02510H

Graphitic carbon nitride with the pyridinic N substituted by Al and Si as efficient photocatalysts for CO2 reduction

Min Zhang, Xiao Zhang, Yaru Liu, Ya-nan Jiang and Yuchen Ma

J. Mater. Chem. A, 2024, 12, 854
DOI: 10.1039/D3TA05398A

In situ intercalation and exploitation of Co3O4 nanoparticles grown on carbon nitride nanosheets for highly efficient degradation of methylene blue

Yan Li, Lei Wang, Yuting Xiao, Guohui Tian, Chungui Tian and Honggang Fu

Dalton Trans., 2020, 49, 14665
DOI: 10.1039/D0DT02982C

Comparative study of the photocatalytic activity of g‐C3N4/MN4 (M = Mn, Fe, Co) for water splitting reaction: A theoretical study

Dhilshada. V. N, Sabyasachi Sen and Mausumi Chattopadhyaya

J Comput Chem, 2024, 45, 2518
DOI: 10.1002/jcc.27464

Fluorine Modified Boron Carbon Nitride Semiconductors for Improved Photocatalytic CO2 Reduction under Visible Light

Fangshu Xing, Qiuwen Liu, Mingxia Song and Caijin Huang

ChemCatChem, 2018, 10, 5270
DOI: 10.1002/cctc.201801418

Recent advances in the improvement of g-C3N4 based photocatalytic materials

Yupeng Xing, Xiaoke Wang, Shuhua Hao, Xueli Zhang, Xiao Wang, Wenxuan Ma, Gang Zhao and Xijin Xu

Chinese Chemical Letters, 2021, 32, 13
DOI: 10.1016/j.cclet.2020.11.011

Non-metal doped graphitic carbon nitride (g-C3N4): Prospects and review on hydrogen generation via water splitting

Om Prakash Nagar and Neelu Chouhan

International Journal of Hydrogen Energy, 2024, 96, 533
DOI: 10.1016/j.ijhydene.2024.10.415

Ag loaded B-doped-g C3N4 nanosheet with efficient properties for photocatalysis

Nirmala Thorat, Asha Yadav, Manisha Yadav, Suraj Gupta, Ranjana Varma, Saju Pillai, Rohan Fernandes, Maulik Patel and Nainesh Patel

Journal of Environmental Management, 2019, 247, 57
DOI: 10.1016/j.jenvman.2019.06.043

A comprehensive overview of the graphitic-carbon nitride computational approach: From basic properties to a wide range of applications

G.Sudha Priyanga, Gaurav Pransu and Santosh Sampath

Chemical Physics Impact, 2024, 8, 100408
DOI: 10.1016/j.chphi.2023.100408

Photocatalytic water purification with graphitic C3N4-based composites: Enhancement, mechanisms, and performance

Songhao Luo, Chang Zhang, Eydhah Almatrafi, Ming Yan, Yang Liu, Yukui Fu, Ziwei Wang, Ling Li, Chenyun Zhou, Piao Xu, Zhifeng Liu and Guangming Zeng

Applied Materials Today, 2021, 24, 101118
DOI: 10.1016/j.apmt.2021.101118

Density Functional Theoretical Method for Modelling Cobalt‐Doped g‐C3N4 Sensor for Detecting Acetone, Ethanol, and Aniline — Cancer Biomarkers

Sneha Mohanan K, Dhilshada. V. N and Mausumi Chattopadhyaya

ChemistrySelect, 2025, 10
DOI: 10.1002/slct.202405976

Design, synthesis and modification of 2D nanomaterials-based photocatalysts for pollutant degradation and photodegradation experiments from lab-scale to grand-scale

Haihua Wang, Yihao Duan, Guiqiang Fei, Tingjiang Yan, Yong-Mook Kang and Dionysios D. Dionysiou

Chemical Engineering Journal, 2023, 477, 147219
DOI: 10.1016/j.cej.2023.147219

Synergistic Effects of B-F/B-S and Nitrogen Vacancy Co-Doping on g-C3N4 and Photocatalytic CO2 Reduction Mechanisms: A DFT Study

Gang Fu, Xiaozhuo Song, Siwei Zhao and Jiaxu Zhang

Molecules, 2022, 27, 7611
DOI: 10.3390/molecules27217611

Enhancement of photocatalytic hydrogen evolution activity of g-C3N4 induced by structural distortion via post-fluorination treatment

Lei Zeng, Xue Ding, Zongzhao Sun, Weiming Hua, Wulin Song, Shuangyi Liu and Limin Huang

Applied Catalysis B: Environmental, 2018, 227, 276
DOI: 10.1016/j.apcatb.2018.01.040

Three-in-One: Opened Charge-transfer channel, positively shifted oxidation potential, and enhanced visible light response of g-C3N4 photocatalyst through K and S Co-doping

Zuju Ma, Zhitao Cui, Yaohui Lv, Rongjian Sa, Kechen Wu and Qiaohong Li

International Journal of Hydrogen Energy, 2020, 45, 4534
DOI: 10.1016/j.ijhydene.2019.12.074

Gas Sensors Based on Exfoliated g-C3N4 for CO2 Detection

Ahmed Kotbi, Manal Benyoussef, El Mostafa Ressami, Michael Lejeune, Brahim Lakssir and Mustapha Jouiad

Chemosensors, 2022, 10, 470
DOI: 10.3390/chemosensors10110470

Visible light active 2D C3N4-CdS hetero-junction photocatalyst for effective removal of azo dye by photodegradation

Rajib Ghosh Chaudhuri, Ashwin Chaturvedi and Eldhose Iype

Mater. Res. Express, 2018, 5, 036202
DOI: 10.1088/2053-1591/aab0ee

Point‐Defect Engineering: Leveraging Imperfections in Graphitic Carbon Nitride (g‐C3N4) Photocatalysts toward Artificial Photosynthesis

Xinnan Yu, Sue‐Faye Ng, Lutfi Kurnianditia Putri, Lling‐Lling Tan, Abdul Rahman Mohamed and Wee‐Jun Ong

Small, 2021, 17
DOI: 10.1002/smll.202006851

Photocatalytic Performance and Degradation Pathway of Rhodamine B with TS-1/C3N4 Composite under Visible Light

Jingjing Yang, Hongqing Zhu, Yuan Peng, Pengxi Li, Shuyan Chen, Bing Yang and Jinzhong Zhang

Nanomaterials, 2020, 10, 756
DOI: 10.3390/nano10040756

Increasing the photocatalytic properties of monolayer black phase GeSe by 3d transition metal doping: From ultraviolet to infrared absorption

Yafei Zhao, Yilin Zhang, Pengfei Yan, Jian Tu, Yongbing Xu and Liang He

Molecular Catalysis, 2020, 496, 111195
DOI: 10.1016/j.mcat.2020.111195

Quantum-chemical calculations on graphitic carbon nitride (g-C3N4) single-layer nanostructures: polymeric slab vs. quantum dot

Mohammad Ghashghaee, Zahra Azizi and Mehdi Ghambarian

Struct Chem, 2020, 31, 1137
DOI: 10.1007/s11224-020-01496-x

Theoretical Study of p-Block Metal Single-Atom-Loaded Carbon Nitride Catalyst for Photocatalytic Water Splitting

Mengning Chen, Yidi Wu, Qiang Wan and Sen Lin

Molecules, 2024, 29, 2030
DOI: 10.3390/molecules29092030

Creating distortion in g-C3N4 framework by incorporation of ethylenediaminetetramethylene for enhancing photocatalytic generation of hydrogen

Feng-Yun Su and Wei-De Zhang

Molecular Catalysis, 2017, 432, 64
DOI: 10.1016/j.mcat.2017.02.011

A newly designed porous oxynitride photoanode with enhanced charge carrier mobility

Liang Mao, Xiaoyan Cai, Hong Gao, Xungang Diao and Junying Zhang

Nano Energy, 2017, 39, 172
DOI: 10.1016/j.nanoen.2017.06.026

Role of Interfaces in Two-Dimensional Photocatalyst for Water Splitting

Tongming Su, Qian Shao, Zuzeng Qin, Zhanhu Guo and Zili Wu

ACS Catal., 2018, 8, 2253
DOI: 10.1021/acscatal.7b03437

Post-activation of in situ B F codoped g-C3N4 for enhanced photocatalytic H2 evolution

Yanjuan Cui, Hao Wang, Chuanfeng Yang, Ming Li, Yimeng Zhao and Fangyan Chen

Applied Surface Science, 2018, 441, 621
DOI: 10.1016/j.apsusc.2018.02.073

Improved photocatalytic property of monolayer MoS2 by B and F co-doping: First principles study

Yafei Zhao, Jian Tu, Yilin Zhang, Xiaoying Hu, Yongbing Xu and Liang He

Journal of Catalysis, 2020, 382, 280
DOI: 10.1016/j.jcat.2019.12.035

2D carbon nitrides: Regulating non-metal boron-doped C3N5 for elucidating the mechanism of wide pH range photocatalytic hydrogen evolution reaction

Sue-Faye Ng, Xingzhu Chen, Joel Jie Foo, Mo Xiong and Wee-Jun Ong

Chinese Journal of Catalysis, 2023, 47, 150
DOI: 10.1016/S1872-2067(23)64417-1

First-Principles Study on Performance of g-C3N4 Self Codoped with C–N Pair as Photocatalyst in Water Splitting Process

Houmei Dai, Xiaolin Cai, Xin Li, Dongliang Wang and Ran Wei

Catal Lett, 2024, 154, 2562
DOI: 10.1007/s10562-023-04522-9

Guiding Principles for Designing Highly Efficient Metal‐Free Carbon Catalysts

Lipeng Zhang, Chun‐Yu Lin, Detao Zhang, Lele Gong, Yonghao Zhu, Zhenghang Zhao, Quan Xu, Hejun Li and Zhenhai Xia

Advanced Materials, 2019, 31
DOI: 10.1002/adma.201805252

Photocatalytic overall water splitting by graphitic carbon nitride

Ping Niu, Junjing Dai, Xiaojuan Zhi, Zhonghui Xia, Shulan Wang and Li Li

InfoMat, 2021, 3, 931
DOI: 10.1002/inf2.12219

Adsorption investigation of CO2 on g-C3N4 surface by DFT calculation

Bicheng Zhu, Liuyang Zhang, Difa Xu, Bei Cheng and Jiaguo Yu

Journal of CO2 Utilization, 2017, 21, 327
DOI: 10.1016/j.jcou.2017.07.021

Co-Doped, Tri-Doped, and Rare-Earth-Doped g-C3N4 for Photocatalytic Applications: State-of-the-Art

Bao Lee Phoon, Chong Cheen Ong, Kuan-Ching Lee, Guan-Ting Pan, Bey Fen Leo, Siewhui Chong and Kuan-Lun Pan

Catalysts, 2022, 12, 586
DOI: 10.3390/catal12060586

Effects of doping a boron atom in g-C3N4 on the catalytic activity of deposited Pd atom for the dehydrogenation of formic acid: A DFT study

Jakkapan Sirijaraensre

Applied Surface Science, 2022, 599, 153950
DOI: 10.1016/j.apsusc.2022.153950

Effect of B and O doping on the electronic structure and quantum capacitance of carbon nitride monolayers using first-principles calculations

Xiaojie Chen, Wenxian Xu, Jiaming Jin, Peixian Wang, Bin Song and Pimo He

Journal of Applied Physics, 2021, 129
DOI: 10.1063/5.0047673

The synergistic effect of potassium ions and nitrogen defects on carbon nitride for enhanced photocatalytic hydrogen evolution

Ziyun You, Gen Li, Chuanhu Wang, Qingbiao Li and Yanmei Zheng

International Journal of Hydrogen Energy, 2023, 48, 15934
DOI: 10.1016/j.ijhydene.2023.01.089

Recent advances in anion doped g-C3N4 photocatalysts: A review

Sulagna Patnaik, Dipti Prava Sahoo and Kulamani Parida

Carbon, 2021, 172, 682
DOI: 10.1016/j.carbon.2020.10.073

Recent Progress in the Development of Semiconductor‐Based Photocatalyst Materials for Applications in Photocatalytic Water Splitting and Degradation of Pollutants

Francis Opoku, Krishna Kuben Govender, Cornelia Gertina Catharina Elizabeth van Sittert and Penny Poomani Govender

Advanced Sustainable Systems, 2017, 1
DOI: 10.1002/adsu.201700006

Graphene-like sulfur-doped g-C3N4 for photocatalytic reduction elimination of UO22+ under visible Light

Lin Ke, Peifeng Li, Xi Wu, Shujuan Jiang, Mingbiao Luo, Yunhai Liu, Zhanggao Le, Chuanzhi Sun and Shaoqing Song

Applied Catalysis B: Environmental, 2017, 205, 319
DOI: 10.1016/j.apcatb.2016.12.043

Transforming Photocatalytic g‐C3N4/MoSe2 into a Direct Z‐Scheme System via Boron‐Doping: A Hybrid DFT Study

Changzhi Ai, Jin Li, Liang Yang, Zhipeng Wang, Zhao Wang, Yamei Zeng, Rong Deng, Shiwei Lin and Cai‐Zhuang Wang

ChemSusChem, 2020, 13, 4985
DOI: 10.1002/cssc.202001048

Amorphous Carbon Nitride as a Robust Photocatalyst for Biocatalytic Solar-to-Chemical Conversion

Eun Jin Son, Yang Woo Lee, Jong Wan Ko and Chan Beum Park

ACS Sustainable Chem. Eng., 2019, 7, 2545
DOI: 10.1021/acssuschemeng.8b05487

Removal of 2,4-dichlorophenoxyacetic acid by the boron-nitrogen co-doped carbon nanotubes: Insights into peroxymonosulfate adsorption and activation

Haopeng Luo, Xin Zhou, Quanyuan Chen and Juan Zhou

Separation and Purification Technology, 2021, 259, 118196
DOI: 10.1016/j.seppur.2020.118196

Tuning interfacial electronic properties of carbon nitride as an efficient catalyst for ultra-deep oxidative desulfurization of fuels

Qingdong Jia, Jing He, Peiwen Wu, Jing Luo, Yanchen Wei, Hongping Li, Suhang Xun, Wenshuai Zhu and Huaming Li

Molecular Catalysis, 2019, 468, 100
DOI: 10.1016/j.mcat.2019.02.011

The effects of Co/N dopants on the electronic, redox potential, optical, and photocatalytic water-splitting properties of TiO2: First principles calculations

Yafei Zhao, Wei Wang and Liang He

Chemical Physics Letters, 2017, 685, 108
DOI: 10.1016/j.cplett.2017.07.046

Effect of boron and phosphorus codoping on the electronic and optical properties of graphitic carbon nitride monolayers: First-principle simulations

Mahdieh Yousefi, Monireh Faraji, Reza Asgari and Alireza Z. Moshfegh

Phys. Rev. B, 2018, 97
DOI: 10.1103/PhysRevB.97.195428

Tuning the reactivity of tri-s-triazine, trinitro-tri-s-triazine and ternary tri-s-triazine graphitic C3N4 quantum dots through H-functionalized and B-doped complexes: A density functional study

D. Ravichandran, R. Akilan, S. Vinnarasi, R. Shankar, S.K Khadheer pasha and Sivakumar Manickam

Chemosphere, 2021, 272, 129901
DOI: 10.1016/j.chemosphere.2021.129901

Scope and prospect of transition metal-based cocatalysts for visible light-driven photocatalytic hydrogen evolution with graphitic carbon nitride

Ajit Kumar Singh, Chandan Das and Arindam Indra

Coordination Chemistry Reviews, 2022, 465, 214516
DOI: 10.1016/j.ccr.2022.214516

Tuning magnetic and optical properties of monolayer WSe2 by doping C, N, P, O, S, F, and Cl: First principles study

Yilin Zhang, Yafei Zhao, Yongbing Xu and Liang He

Solid State Communications, 2021, 327, 114233
DOI: 10.1016/j.ssc.2021.114233

Theoretical Modeling of Direct Z-Scheme B,F-Doped g-C3N4/CoN4 Composites for Promoting Photocatalytic Water Splitting Reaction

Dhilshada. V. N and Mausumi Chattopadhyaya

J. Phys. Chem. C, 2025, 129, 5625
DOI: 10.1021/acs.jpcc.4c07373

Surface doping of nonmetal atoms enhances photocatalytic performance of monolayer GeSe for degradation of organic pollution

Yafei Zhao, Xinzhong Li, Hehe Li and Liang He

Chemical Physics Letters, 2021, 785, 139156
DOI: 10.1016/j.cplett.2021.139156

Research on the Element Doping Modification Strategy of Graphite Carbon Nitride: A Review

Min Xiao, Jianghao Tian, Chunru Sun and Huixian Zhang

Kinet Catal, 2024, 65, 481
DOI: 10.1134/S0023158424601591

Improve photocatalytic performance of g-C3N4 through balancing the interstitial and substitutional chlorine doping

Mengyu Cao, Ke Wang, Ignacio Tudela and Xianfeng Fan

Applied Surface Science, 2021, 536, 147784
DOI: 10.1016/j.apsusc.2020.147784

Cooperative coupling strategy for constructing 0D/2D carbon nitride composites with strengthened chemical interaction for enhanced photocatalytic applications

Kunqiao Li, Yanqiu Jiang, Wei Rao, Yudong Li, Xing Liu, Jian Zhang, Xianzhu Xu and Kaifeng Lin

Chemical Engineering Journal, 2022, 431, 134075
DOI: 10.1016/j.cej.2021.134075

Enhanced Electron–Hole Separation in Phosphorus-Coordinated Co Atom on g-C3N4 toward Photocatalytic Overall Water Splitting

Lifu Zhang, Qiquan Luo, Shuanglin Hu, Zhenpeng Hu, Wenhua Zhang and Jinlong Yang

J. Phys. Chem. Lett., 2022, 13, 11961
DOI: 10.1021/acs.jpclett.2c02663

Hydrogen adsorption on zigzag (4,0), (5,0) and (6,0) hg-C3N4-NTs and their surfaces decorated by selected-elements (periods 3 and 4): A DFT study

Kanthira Kaewsud, Viwat Vchirawongkwin and Vithaya Ruangpornvisuti

Diamond and Related Materials, 2023, 136, 109999
DOI: 10.1016/j.diamond.2023.109999

Theoretical insight into water splitting mechanism of B doped tri-s-triazine-based g-C3N4/m-BiVO4(001) heterojunction photocatalyst

Xiong Zhang, Linwei Yao, Hongyuan Zhao, Zhiyong Zhang and Fuchun Zhang

Materials Today Communications, 2023, 35, 106089
DOI: 10.1016/j.mtcomm.2023.106089

Controllable functionalization of g-C3N4 mediated all-solid-state (ASS) Z-scheme photocatalysts towards sustainable energy and environmental applications

Sheetal Sharma, Vishal Dutta, Pankaj Raizada, Aftab Aslam Parwaz Khan, Quyet Van Le, Vijay Kumar Thakur, Jayanta Kumar Biswas, Rangabhashiyam Selvasembian and Pardeep Singh

Environmental Technology & Innovation, 2021, 24, 101972
DOI: 10.1016/j.eti.2021.101972

Conductivity tuning of charged triazine and heptazine graphitic carbon nitride (g-C3N4) quantum dots via nonmetal (B, O, S, P) doping: DFT calculations

Mohammad Ghashghaee, Zahra Azizi and Mehdi Ghambarian

Journal of Physics and Chemistry of Solids, 2020, 141, 109422
DOI: 10.1016/j.jpcs.2020.109422

Accelerating the Discovery of g-C3N4-Supported Single Atom Catalysts for Hydrogen Evolution Reaction: A Combined DFT and Machine Learning Strategy

M. V. Jyothirmai, D. Roshini, B. Moses Abraham and Jayant K. Singh

ACS Appl. Energy Mater., 2023, 6, 5598
DOI: 10.1021/acsaem.3c00835

Potassium and Boron Co-Doping of g-C3N4 Tuned CO2 Reduction Mechanism for Enhanced Photocatalytic Performance: A First-Principles Investigation

Gang Fu, Wenqing Zhen, Hongyi Wang, Xin Zhou, Li Yang and Jiaxu Zhang

Molecules, 2024, 29, 5339
DOI: 10.3390/molecules29225339

First Principle Study of Na and P Co-Doped Heptazine Based Monolayer g-C₃N₄

Deepak K. Gorai and T.K. Kundu

MSF, 2020, 978, 369
DOI: 10.4028/www.scientific.net/MSF.978.369

Catalytic origin and universal descriptors of heteroatom-doped photocatalysts for solar fuel production

Yonghao Zhu, Lele Gong, Detao Zhang, Xiaowei Wang, Jing Zhang, Lipeng Zhang, Liming Dai and Zhenhai Xia

Nano Energy, 2019, 63, 103819
DOI: 10.1016/j.nanoen.2019.06.015

Photocatalytic degradation of tetracycline by g-C3N4/stilbite under visible light: Mechanistic insights and degradation pathways

Sihang Gao, Xiaoting Chen, Xindong Fang, Ziqi Cheng, Yubo Wang, Dengzheng Gao, Qingbin Guo, Li Wang and Xiaolong Hu

Materials Research Bulletin, 2024, 180, 113008
DOI: 10.1016/j.materresbull.2024.113008

A Benchmark Quantum Yield for Water Photoreduction on Amorphous Carbon Nitride

Mohammad Z. Rahman, Patrick C. Tapping, Tak W. Kee, Ronald Smernik, Nigel Spooner, Jillian Moffatt, Youhong Tang, Kenneth Davey and Shi‐Zhang Qiao

Adv Funct Materials, 2017, 27
DOI: 10.1002/adfm.201702384

Niobium-Doped TiO2: Effect of an Interstitial Oxygen Atom on the Charge State of Niobium

Wei Yan and Xiaojie Liu

Inorg. Chem., 2019, 58, 3090
DOI: 10.1021/acs.inorgchem.8b03096

Synthesis of Zn doped g-C3N4 in KCl-ZnCl2 molten salts: The temperature window for promoting the photocatalytic activity

Mengyu Cao, Ke Wang, Ignacio Tudela and Xianfeng Fan

Applied Surface Science, 2020, 533, 147429
DOI: 10.1016/j.apsusc.2020.147429

Novel X@g-C3N4/GaP3 (X = S, Se) heterostructures for photocatalytic overall water splitting with Z-scheme

Wen-Jie Shi, Chuan-Lu Yang, Xiaohu Li, Yuliang Liu and Wenkai Zhao

Applied Surface Science, 2025, 685, 162045
DOI: 10.1016/j.apsusc.2024.162045

Sulfur- and chlorine-co-doped g-C3N4 nanosheets with enhanced active species generation for boosting visible-light photodegradation activity

Futao Yi, Huihui Gan, Hufang Jin, Wenyu Zhao, Kefeng Zhang, Huixia Jin, Huining Zhang, Yongxing Qian and Jianqing Ma

Separation and Purification Technology, 2020, 233, 115997
DOI: 10.1016/j.seppur.2019.115997

Density Functional Theory Study of Single-Atom V, Nb, and Ta Catalysts on Graphene and Carbon Nitride for Selective Nitrogen Reduction

Chunjin Ren, Qianyu Jiang, Wei Lin, Yongfan Zhang, Shuping Huang and Kaining Ding

ACS Appl. Nano Mater., 2020, 3, 5149
DOI: 10.1021/acsanm.0c00512

Whether Corrugated or Planar Vacancy Graphene-like Carbon Nitride (g-C3N4) Is More Effective for Nitrogen Reduction Reaction?

Chunjin Ren, Yongli Zhang, Yanli Li, Yongfan Zhang, Shuping Huang, Wei Lin and Kaining Ding

J. Phys. Chem. C, 2019, 123, 17296
DOI: 10.1021/acs.jpcc.9b03511

Ammonia synthesis by enhanced photocatalysis of N2 over oxygen-sulfur co-doped semi-crystalline g-C3N4

Dan Li, Jiahui Cheng, Zhao Jiang and Yang Guo

J Mater Sci, 2022, 57, 21869
DOI: 10.1007/s10853-022-08025-7

Application of g‐C3N4 Matrix Composites Photocatalytic Performance from Degradation of Antibiotics

Jinfen Niu, Kai Wang, Zhangtengfei Ma, Fan Yang and Yue Zhang

ChemistrySelect, 2020, 5, 12353
DOI: 10.1002/slct.202003407

Metal-Free Half-Metallicity in B-Doped gh-C3N4 Systems

Hailin Yu, Xuefan Jiang, Zhenguang Shao, Jinfu Feng, Xifeng Yang and Yushen Liu

Nanoscale Res Lett, 2018, 13
DOI: 10.1186/s11671-018-2473-x

The Role of Boron Dopant in the Improvement of Electron Transfer in g-C3N4 Photocatalyst

Ewelina Wierzyńska, Klaudia Korytkowska, Krzysztof Kazimierczuk, Tomasz Łęcki, Kamila Zarębska, Krzysztof P. Korona, Marcin Pisarek, Bartosz Furtak and Magdalena Skompska

J. Phys. Chem. C, 2024, 128, 894
DOI: 10.1021/acs.jpcc.3c06373

Improvement of photocatalytic activity of g-C3N4 by five-membered heterocyclic small molecule modifications: A theoretical prediction

Yongli Zhang, Chunjin Ren, Yongfan Zhang, Wei Lin and Kaining Ding

Applied Surface Science, 2019, 478, 119
DOI: 10.1016/j.apsusc.2019.01.128

Insights into photocatalytic CO2 reduction on C3N4: Strategy of simultaneous B, K co-doping and enhancement by N vacancies

Ke Wang, Jile Fu and Ying Zheng

Applied Catalysis B: Environmental, 2019, 254, 270
DOI: 10.1016/j.apcatb.2019.05.002

First-principle calculation study of tri-s-triazine-based g-C3N4: A review

Bicheng Zhu, Liuyang Zhang, Bei Cheng and Jiaguo Yu

Applied Catalysis B: Environmental, 2018, 224, 983
DOI: 10.1016/j.apcatb.2017.11.025

Strain-tuneable photocatalytic ability of BC6N monolayer: A first principle study

Sreejani Karmakar and Sudipta Dutta

Computational Materials Science, 2022, 202, 111002
DOI: 10.1016/j.commatsci.2021.111002

Effect of hydrogen sources toward the CO2 photoreduction on boron decorated crystalline carbon nitride

Yuehua Kong, Junhui Pan, Yi Li, Yongfan Zhang and Wei Lin

Applied Surface Science, 2024, 669, 160426
DOI: 10.1016/j.apsusc.2024.160426

Insight into photocatalytic nitrogen fixation on graphitic carbon nitride: Defect-dopant strategy of nitrogen defect and boron dopant

Chao Liang, Huai-Yuan Niu, Hai Guo, Cheng-Gang Niu, Da-Wei Huang, Ya-Ya Yang, Hui-Yun Liu, Bin-Bin Shao and Hao-Peng Feng

Chemical Engineering Journal, 2020, 396, 125395
DOI: 10.1016/j.cej.2020.125395

Crystallinity-defect matching relationship of g-C3N4: Experimental and theoretical perspectives

Yuhan Li, Ziteng Ren, Zhengjiang He, Ping Ouyang, Youyu Duan, Wendong Zhang, Kangle Lv and Fan Dong

Green Energy & Environment, 2024, 9, 623
DOI: 10.1016/j.gee.2023.02.012

Decade Milestone Advancement of Defect-Engineered g-C3N4 for Solar Catalytic Applications

Shaoqi Hou, Xiaochun Gao, Xingyue Lv, Yilin Zhao, Xitao Yin, Ying Liu, Juan Fang, Xingxing Yu, Xiaoguang Ma, Tianyi Ma and Dawei Su

Nano-Micro Lett., 2024, 16
DOI: 10.1007/s40820-023-01297-x

Tuning the Nonlinear Optical Response of Graphitic Carbon Nitride by Doping Li Atoms

Juan Juan Tan and Feng Long Gu

J. Phys. Chem. C, 2018, 122, 26635
DOI: 10.1021/acs.jpcc.8b08242

Tuning the Intrinsic Properties of Carbon Nitride for High Quantum Yield Photocatalytic Hydrogen Production

Mohammad Z. Rahman, Kenneth Davey and C. Buddie Mullins

Advanced Science, 2018, 5
DOI: 10.1002/advs.201800820

Graphitic carbon nitride-based 2D catalysts for green energy: Physical mechanism and applications

L. Kong, P. Song, F. Ma and M. Sun

Materials Today Energy, 2020, 17, 100488
DOI: 10.1016/j.mtener.2020.100488

Hole scavenger-free nitrogen photofixation in pure water with non-metal B-doped carbon nitride: Implicative importance of B species for N2 activation

Jiale Lee, Steven Hao Wan Kok, Boon-Junn Ng, Xin Ying Kong, Lutfi Kurnianditia Putri, Siang-Piao Chai and Lling-Lling Tan

Journal of Environmental Chemical Engineering, 2023, 11, 109511
DOI: 10.1016/j.jece.2023.109511

Transition metal (Mn, Fe, Co, Ni) and nitrogen co-doping for improving the photocatalytic activity of monolayer MoS2

Yafei Zhao, Miaomiao Tang and Liang He

Molecular Catalysis, 2024, 553, 113785
DOI: 10.1016/j.mcat.2023.113785

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

Bicheng Zhu, Bei Cheng, Liuyang Zhang and Jiaguo Yu

Carbon Energy, 2019, 1, 32
DOI: 10.1002/cey2.1

Computational Design of 2D Phosphorus Nanostructures for Renewable Energy Applications: A Review

Chen‐Chen Er, Cheng‐May Fung, Wei‐Kean Chong, Yong Jieh Lee, Lling‐Lling Tan, Yee Sin Ang, Nikhil V. Medhekar and Siang‐Piao Chai

Adv Elect Materials, 2024, 10
DOI: 10.1002/aelm.202300869

Boosting of photocatalytic hydrogen evolution via chlorine doping of polymeric carbon nitride

Malgorzata Aleksandrzak, Michalina Kijaczko, Wojciech Kukulka, Daria Baranowska, Martyna Baca, Beata Zielinska and Ewa Mijowska

Beilstein J. Nanotechnol., 2021, 12, 473
DOI: 10.3762/bjnano.12.38

Charge compensation co-doping enhances the photocatalytic activity of black phosphorus

Yafei Zhao and Liang He

Molecular Catalysis, 2021, 516, 112008
DOI: 10.1016/j.mcat.2021.112008