3.9 Article

DFT Study on Regulating the Electronic Structure and CO2 Reduction Reaction in BiOBr/Sulphur-Doped G-C3N4 S-Scheme Heterojunctions

Related references

Note: Only part of the references are listed.
Article Engineering, Environmental

S-scheme heterojunction based on p-type ZnMn2O4 and n-type ZnO with improved photocatalytic CO2 reduction activity

Hongzhao Deng et al.

Summary: Hierarchical ZnMn2O4/ZnO nanofibers were prepared as photocatalysts, outperforming pristine ZnO nanofibers by showing a about 4-fold increment in CO and CH4 yields. The enhanced charge separation efficiency and the realization of S-scheme charge transfer were demonstrated in the composite, providing new insights into the design of S-scheme photocatalysts composed of p-type and n-type semiconductors.

CHEMICAL ENGINEERING JOURNAL (2021)

Article Chemistry, Physical

Internal electric field induced S-scheme heterojunction MoS2/CoAl LDH for enhanced photocatalytic hydrogen evolution

Junnan Tao et al.

Summary: In this study, an internal electric field-induced S-scheme system comprised of 2D CoAl layered double hydroxide and 2D molybdenum disulfide was constructed for efficient photocatalytic hydrogen generation. The 2D/2D MoS2/CoAl LDH hybrid demonstrated eightfold greater photocatalytic hydrogen generation rate compared to CoAl LDH, attributed to a 2D/2D S-scheme charge transfer mechanism induced by the internal electric field at the interface.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2021)

Article Energy & Fuels

Construction of an Ultrathin S-Scheme Heterojunction Based on Few-Layer g-C3N4 and Monolayer Ti3C2Tx MXene for Photocatalytic CO2 Reduction

Yali Yang et al.

Summary: The ultrathin S-scheme heterojunction g-C3N4/TiO2/C was constructed using electrostatic self-assembly and calcination method, showing excellent photocatalytic CO2 reduction performance due to large contact area and strong interaction between the compositions. The results confirm the importance of interface contact for efficient charge carrier transfer in photocatalytic processes.

SOLAR RRL (2021)

Article Engineering, Environmental

One-step construction of S-scheme heterojunctions of N-doped MoS2 and S-doped g-C3N4 for enhanced photocatalytic hydrogen evolution

Yanli Chen et al.

Summary: S-scheme heterojunctions of S-doped g-C3N4 (SCN) and N-doped MoS2 (NMS) were constructed using a one-step thermal polycondensation method, revealing enhanced NMS purity. The NMS/SCN with an NMS ratio of 19.3 wt% showed the highest photocatalytic activity, with a significantly increased H2 generation rate.

CHEMICAL ENGINEERING JOURNAL (2021)

Article Chemistry, Physical

A novel S-scheme 1D/2D Bi2S3/g-C3N4 heterojunctions with enhanced H2 evolution activity

Bin Zhang et al.

Summary: In this study, a Bi2S3/g-C3N4 heterostructure with exceptional photocatalytic activity for H-2 evolution under visible light illumination was successfully synthesized. The hybrid material showed excellent stability and recyclability, with a significant enhancement in performance compared to pure g-C3N4. The results suggest that the direct S-scheme mechanism facilitates the separation and utilization of charge carriers, leading to improved photocatalytic performance.

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2021)

Article Engineering, Environmental

Construction of S-scheme Bi2WO6/g-C3N4 heterostructure nanosheets with enhanced visible-light photocatalytic degradation for ammonium dinitramide

Xiaoyan Lian et al.

Summary: Photocatalysis technology is seen as a promising environmental remediation strategy, with the use of Bi2WO6/g-C3N4 heterostructure nanosheets showing high efficiency in degrading ammonium dinitramide. Under optimized conditions, the composite exhibits excellent stability and generates nitrate ions as the main degradation products. The proposed S-scheme heterojunction mechanism helps explain the high REDOX performance of the BWO/CN composite.

JOURNAL OF HAZARDOUS MATERIALS (2021)

Article Materials Science, Multidisciplinary

Fabrication of novel CoO/porous graphitic carbon nitride S-scheme heterojunction for efficient CO2 photoreduction

Feifei Mei et al.

Summary: The formation of S-scheme heterojunction by growing CoO on PCN can enhance CO2 conversion efficiency and redox ability, accelerating charge separation and transfer at the interface for efficient photocatalysis.

MATERIALS LETTERS (2021)

Article Nanoscience & Nanotechnology

Pt nanoparticles embedded spine-like g-C3N4 nanostructures with superior photocatalytic activity for H2 generation and CO2 reduction

Xiao Zhang et al.

Summary: This study introduces a new nanostructured spine-like three-dimensional g-C3N4 nanostructure for photocatalysis, which shows superior performance in H-2 generation and CO2 reduction to CH4. The unique synthesis method involving self-assembly of layered precursors and H+ intercalation introduced by acid treatment plays a crucial role in the formation of the 3D g-C3N4 nanostructures.

NANOTECHNOLOGY (2021)

Article Energy & Fuels

Integrated S-Scheme Heterojunction of Amine-Functionalized 1D CdSe Nanorods Anchoring on Ultrathin 2D SnNb2O6 Nanosheets for Robust Solar-Driven CO2 Conversion

Xiaochun Ke et al.

Summary: A novel S-scheme SnNb2O6/CdSe-diethylenetriamine heterojunction was designed and showed enhanced activity in the solar-driven photocatalytic conversion of CO2 to CO, attributed to the synergy between CdSe-diethylenetriamine nanorods and SNO nanosheets in the S-scheme system.

SOLAR RRL (2021)

Article Chemistry, Physical

Amine-Modified S-Scheme Porous g-C3N4/CdSe-Diethylenetriamine Composite with Enhanced Photocatalytic CO2 Reduction Activity

Yao Huo et al.

Summary: Amine modification and the formation of the S-scheme heterojunction optimize the photocatalytic CO2 reduction performance of A-PCN/CdSe-DETA composite, achieving a remarkable CO production rate of 25.87 mu mol/(h g) under visible-light irradiation without the need for a sacrificial agent. This work sheds light on the functionalization of S-scheme photocatalysts using amine functional groups, opening up vast opportunities for applications beyond photocatalysis.

ACS APPLIED ENERGY MATERIALS (2021)

Article Nanoscience & Nanotechnology

Photocatalytic CO2 Reduction Enabled by Interfacial S-Scheme Heterojunction between Ultrasmall Copper Phosphosulfide and g-C3N4

Xiandi Zhang et al.

Summary: The study focuses on enhancing photocatalytic CO2 reduction by anchoring ultrasmall copper phosphosulfide nanocrystals on 2D g-C3N4 nanosheets, forming an S-scheme heterojunction for efficient separation and migration of charge carriers, leading to significantly increased generation rate of CO and paving the way for the application of TMPSs in photocatalytic processes.

ACS APPLIED MATERIALS & INTERFACES (2021)

Article Energy & Fuels

CO2 selectivity of flower-like MoS2 grown on TiO2 nanofibers coated with acetic acid-treated graphitic carbon nitride

Suhee Kang et al.

Summary: In this study, a novel noble-metal-free TiO2/MoS2/g-C3N4 heterostructure was introduced to maximize CO2 adsorption sites and charge carriers separation, ultimately leading to an improvement in S-CO2 to around 90%.

SOLAR ENERGY MATERIALS AND SOLAR CELLS (2021)

Article Chemistry, Multidisciplinary

Solar Light-Irradiated Photocatalytic Degradation of Model Dyes and Industrial Dyes by a Magnetic CoFe2O4-gC(3)N(4) S-Scheme Heterojunction Photocatalyst

Debika Gogoi et al.

Summary: CoFe2O4-gC(3)N(4) nanocomposites exhibit high photocatalytic efficiency in degrading various synthetic and industrial dyes, with complete degradation of dye-containing wastewater within 30 minutes under sunlight. The nanocomposites also show stable performance and easy magnetic separability, making them promising for industrial wastewater treatment.

ACS OMEGA (2021)

Article Materials Science, Multidisciplinary

In-situ growth of ultrafine ZnO on g-C3N4 layer for highly active and selective CO2 photoreduction to CH4 under visible light

Chi Chen et al.

Summary: A novel method for preparing g-C3N4/ZnO nanocomposites was proposed, which showed significantly enhanced CO2 photoreduction activity and CH4 production selectivity. This provides an ideal synthetic strategy for highly efficient CO2 photoreduction using g-C3N4-based hybrid materials.

MATERIALS RESEARCH BULLETIN (2021)

Article Chemistry, Physical

TiO2/polydopamine S-scheme heterojunction photocatalyst with enhanced CO2-reduction selectivity

Aiyun Meng et al.

Summary: This study fabricated polydopamine-modified TiO2 hollow spheres and investigated their effect on the photocatalytic CO2 reduction activities. The results showed that the PDA wrapping significantly enhanced the photocatalytic activity and methane selectivity, leading to improved yields.

APPLIED CATALYSIS B-ENVIRONMENTAL (2021)

Article Chemistry, Physical

Designing charge transfer route at the interface between WP nanoparticle and g-C3N4 for highly enhanced photocatalytic CO2 reduction reaction

Xiandi Zhang et al.

Summary: Developing metallic co-catalysts is an effective way to enhance photocatalytic activity, and the coupling of ultra-small WP nanoparticles embedded on N-doped carbon with 2D graphitic C3N4 has been shown to significantly enhance CO production rate through facilitating electron flow and preventing charge-carrier recombination via the Schottky junction. This work demonstrates the potential of metallic WP as a co-catalyst in photocatalysis and provides useful guidance on phosphide-based material design.

APPLIED CATALYSIS B-ENVIRONMENTAL (2021)

Article Environmental Sciences

Fabrication of S-scheme CdS-g-C3N4-graphene aerogel heterojunction for enhanced visible light driven photocatalysis

Jianhui Liu et al.

Summary: Constructing S-scheme heterojunction photocatalysts through a facile ultrasound strategy demonstrates improved separation efficiency of photogenerated carriers and enhanced harvesting ability of solar energy. The ternary CdS-g-C3N4-GA heterojunction exhibits significantly enhanced photocatalytic degradation performance for dyes and antibiotic wastewater, as well as improved photocatalytic H2 production activity.

ENVIRONMENTAL RESEARCH (2021)

Article Chemistry, Applied

Sulfur-doped g-C3N4/TiO2 S-scheme heterojunction photocatalyst for Congo Red photodegradation

Juan Wang et al.

Summary: Constructing S-scheme heterojunctions can enhance the photocatalytic activity of composite materials. The synthesized sulfur-doped SCN/TiO2 photocatalysts showed superior performance in degrading CR aqueous solution due to well-distributed nanostructure and S-scheme heterojunction.

CHINESE JOURNAL OF CATALYSIS (2021)

Article Chemistry, Multidisciplinary

Designing a 0D/2D S-Scheme Heterojunction over Polymeric Carbon Nitride for Visible-Light Photocatalytic Inactivation of Bacteria

Pengfei Xia et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

Review Chemistry, Physical

The nonmetal modulation of composition and morphology of g-C3N4-based photocatalysts

Fang He et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2020)

Review Materials Science, Multidisciplinary

Design and application of active sites in g-C3N4-based photocatalysts

Yang Li et al.

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY (2020)

Review Materials Science, Multidisciplinary

Recent advances in g-C3N4-based heterojunction photocatalysts

Yunfeng Li et al.

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY (2020)

Review Materials Science, Multidisciplinary

BiVO4, Bi2WO6 and Bi2MoO6 photocatalysis: A brief review

Xintong Liu et al.

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY (2020)

Article Materials Science, Multidisciplinary

Step-scheme CdS/TiO2 nanocomposite hollow microsphere with enhanced photocatalytic CO2 reduction activity

Zhongliao Wang et al.

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY (2020)

Article Materials Science, Multidisciplinary

2D/2D Bi2MoO6/g-C3N4S-scheme heterojunction photocatalyst with enhanced visible-light activity by Au loading

Qiaoqiao Li et al.

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY (2020)

Review Chemistry, Multidisciplinary

S-Scheme Heterojunction Photocatalyst

Quanlong Xu et al.

Article Chemistry, Multidisciplinary

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 et al.

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2020)

Article Multidisciplinary Sciences

Unique S-scheme heterojunctions in self-assembled TiO2/CsPbBr3 hybrids for CO2 photoreduction

Feiyan Xu et al.

NATURE COMMUNICATIONS (2020)

Article Chemistry, Applied

Bifunctional S-scheme g-C3N4/Bi/BiVO4 hybrid photocatalysts toward artificial carbon cycling

Quan Xie et al.

CHINESE JOURNAL OF CATALYSIS (2020)

Article Chemistry, Physical

The superior photocatalytic activity of Nb doped TiO2/g-C3N4 direct Z-scheme system for efficient conversion of CO2 into valuable fuels

Nguyen Thi Thanh Truc et al.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2019)

Article Chemistry, Physical

Ultrathin 2D/2D WO3/g-C3N4 step-scheme H2-production photocatalyst

Junwei Fu et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2019)

Review Chemistry, Physical

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

Bicheng Zhu et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2018)

Article Chemistry, Inorganic & Nuclear

Synthesis of Flowerlike g-C3N4/BiOBr with Enhanced Visible Light Photocatalytic Activity for Dye Degradation

Man Jiang et al.

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2018)

Article Chemistry, Physical

DFT Study on Sulfur-Doped g-C3N4 Nanosheets as a Photocatalyst for CO2 Reduction Reaction

Yuelin Wang et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

Article Chemistry, Multidisciplinary

Copper-Based Metal-Organic Porous Materials for CO2 Electrocatalytic Reduction to Alcohols

Jonathan Albo et al.

CHEMSUSCHEM (2017)

Article Chemistry, Multidisciplinary

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

Bicheng Zhu et al.

JOURNAL OF CO2 UTILIZATION (2017)

Review Biochemistry & Molecular Biology

Biochemical and synthetic biology approaches to improve photosynthetic CO2-fixation

Tobias J. Erb et al.

CURRENT OPINION IN CHEMICAL BIOLOGY (2016)

Review Biology

Synthetic biology for CO2 fixation

Fuyu Gong et al.

SCIENCE CHINA-LIFE SCIENCES (2016)

Article Energy & Fuels

Size-dependent role of gold in g-C3N4/BiOBr/Au system for photocatalytic CO2 reduction and dye degradation

Yang Bai et al.

SOLAR ENERGY MATERIALS AND SOLAR CELLS (2016)

Article Chemistry, Inorganic & Nuclear

Structural, Electronic, and Optical Properties of Eu-Doped BiOX (X = F, Cl, Br, I): A DFT plus U Study

Zong-Yan Zhao et al.

INORGANIC CHEMISTRY (2014)

Article Physics, Condensed Matter

Physisorption of nucleobases on graphene: a comparative van der Waals study

Duy Le et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2012)

Review Chemistry, Multidisciplinary

Ab-initio simulations of materials using VASP: Density-functional theory and beyond

Juergen Hafner

JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)

Article Chemistry, Multidisciplinary

Semiempirical GGA-type density functional constructed with a long-range dispersion correction

Stefan Grimme

JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)

Article Materials Science, Multidisciplinary

More accurate generalized gradient approximation for solids

Zhigang Wu et al.

PHYSICAL REVIEW B (2006)

Article Materials Science, Ceramics

Kinetics of the hydrogen reduction of silica incorporating the effect of gas-volume change upon reaction

G Han et al.

JOURNAL OF THE AMERICAN CERAMIC SOCIETY (2005)