Visible Light Catalytic Activity Research Articles

Fabrication and characterization of BiOxBry/BiOmIn coupled GCN heterojunctions with enhanced visible-light catalytic activity

We report the fabrication of bismuth oxybromide/bismuth oxyiodide coupled to graphitic carbon nitride heterojunctions via a simple hydrothermal method to circumvent fast recombination of photogenerated charge carriers of pure BiOX. The obtained BiOxBry/BiOmIn/GCN with varied ratios and synthetic conditions were stable and achieved significant enhancement in visible-light driven catalytic activities for degradation of crystal violet and 2-hydroxybenzoic acid. BB2I1–200–7-10%GCN heterojunction also showed selective reduction of carbon dioxide to methane under UV–vis irradiation with 0.018 μmol/g.h yield. The photocatalytic mechanism and major active species in crystal violet decomposition by BiOxBry/BiOmIn/GCN were investigated and proposed.

A visible light-sensitive argentous oxide/calcium aluminate nanocomposite photocatalyst

A photo-deposition method was developed to synthesise argentous oxide/calcium aluminate nanocomposites (Ag2O-CAONCS) with orthorhombic Ca5Al6O14 and cubic Ag2O phases. Micro-morphology, micro-structure, optical, and visible-light catalytic properties were investigated via different techniques. Ag2O enhances visible-light absorption performance and decreases the band gap of the Ag2O-CAONCS. About 20 mL crystal violet (CV) dye (10 mgL–1) is totally degraded using 20 mg Ag2O-CAONCS under sunlight irradiation for 20 min. The enhanced photocatalytic activity of the Ag2O-CAONCS towards CV under sunlight irradiation is ascribed to the reduction of the band gap, improvement in visible-light absorption and inhibitation role of carriers recombination by Ag2O. The high, stable visible-light catalytic activity makes Ag2O-CAONCS promising photocatalysts for removing organic pollutants.

Preparation of three-dimensional porous spherical TiO2@g-C3N4 composites and visible light catalytic degradation on organic dyes

In order to improve the visible light catalytic activity of TiO2, the TiO2@g-C3N4 (TCN) composite catalysts with three-dimensional porous structure and rich active sites were prepared by hydrothermal method and calcination method orderly. The synthesized TCN composites microstructures were thoroughly characterized and their performance for the photocatalytic degradation of organic dyes was investigated. The results show that the prepared composites formed the heterojunctions with a core-shell structure, which can effectively broaden the absorption spectrum of TiO2 to visible light region. In the degradation experiments, the TCN composites exhibited excellent photocatalytic degradation effect on organic dyes, which can reach 99.65% under visible light irradiation for 2 h. The strong acid condition was benefit to the catalytic process. After five cycles of testing, the degradation efficiency of organic dyes can still maintain at 95.62% level, which indicate that the TCN composites had excellent visible light catalytic activity and reusability.

Fabrication of a Ag2O/SiO2/Ta2O5 nanocomposite coating for orthopaedic applications: Anticorrosion, photocatalytical and antimicrobial activities

With the considerable growth of the world's elderly population, there is an urgent need to develop bone implants with multifunctional surfaces, including high wear/corrosion resistance, favorable biocompatibility and excellent self-sterilization characteristics. Here, a Ag2O/SiO2/Ta2O5 nanocomposite coating was deposited on a Ti–6Al–4V substrate by double-cathode glow discharge technology. The mechanical characteristics, microstructure, biological corrosion resistance, biocompatibility, visible light catalytic activity and antibacterial properties of the nanocomposite coating were comprehensively evaluated. The Ag2O/SiO2/Ta2O5 coating was composed of crystalline Ta2O5 and Ag2O particles embedded in amorphous SiO2, and showed significantly improved surface hardness relative to the substrate. Further, this coating significantly reduced the corrosion damage from Ringer's solution to the substrate and was conducive to the spreading, adhesion and proliferation of MC3T3-E1 cells. Through investigation of the coating's photocatalytic activity, it was found that the nanocomposite coating solved the limitation that commercial Ta2O5 could not be induced by visible light. Further DFT calculations revealed the orbital occupation of the density of states of the Ag2O/SiO2/Ta2O5 heterojunction and the transfer path of the photogenerated electron-hole pairs. This finding was validated by investigation of antibacterial behaviour under the conditions of dark and visible light. It was shown that the antibacterial rate for the Ag2O/SiO2/Ta2O5 nanocomposite coating against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) under visible-light is close to 100%, which is higher than the single antibacterial rate for Ag+ ions under dark conditions. Thus, the multifunctional Ag2O/SiO2/Ta2O5 nanocomposite coating is expected to become an attractive alternative for the surface modification of the next generation of bone implants.

Microwave assisted synthesis of ZnO-TiO2 and its visible light catalytic denitrification activity

Comparing the composite TiO2 prepared by hydrothermal sol gel method and microwave-assisted sol gel method, the microwave-assisted sol gel method with shorter time and better crystallinity was finally used to prepare ZnO-TiO2 materials with different composite ratios. The specific surface area, pore volume and pore size of ZnO-TiO2 composite are significantly larger than those of TiO2. The surface acidity of ZnO-TiO2 composite is stronger. The band structure is conducive to the efficient separation of electrons and holes, and the catalytic reduction activity and selectivity are stronger. The best composite ratio of ZnO and TiO2 is optimized to be 0.2 through photocatalytic denitration experiments. For NOx with an initial concentration of 6.83 mg/m3, under the light source condition irradiated by 65 W energy-saving lamp, the visible photocatalytic removal efficiency is as high as 85%. When the NOx concentration is increased to 13.67 mg/m3 and the ammonia nitrogen ratio is 1:1, the denitration efficiency is as high as 96%, which is 43% higher than that of pure TiO2. According to mechanism analysis, the whole reaction can be divided into adsorption and photocatalysis. Adsorption is the speed control step of the reaction. NO is oxidized to NO2 under the action of adsorbed oxygen, and photogenerated electrons can further reduce NO2 to N2. After NH3 is introduced, NH3 and photogenerated electrons work together to improve NOx removal efficiency.

BiPO4/Ag3PO4/Bi2SiO5 heterojunction: controllable synthesis and its enhancement of visible light catalytic activity

BiPO4/Ag3PO4/Bi2SiO5 heterojunction: controllable synthesis and its enhancement of visible light catalytic activity

Integrated Nanostructures of TiO2/g-C3N4/Diatomite Based on Low-Grade Diatomite as Efficient Catalyst for Photocatalytic Degradation of Methylene Blue: Performance and Mechanism

The comprehensive utilization of low-grade diatomite resources and the effective treatment of printing and dyeing wastewater have attracted widespread attention. The combined scrubbing-magnetic separation-acid leaching-roasting process was used to increase the SiO2 content from 59.22% to 86.93%, reduce the Al2O3 content from 18.32% to 6.75%, and reduce the Fe2O3 content from 6.85% to 1.24% in the low-grade diatomite from Heilongjiang, China. The TiO2/g-C3N4/diatomite nanocomposite was prepared by a facile ultrasonic-thermal polymerization method. In this ternary structure, diatomite skeleton effectively increased the surface area with abundant adsorption sites, prevented g-C3N4 from restacking, and facilitated the separation of electrons and holes via the formation of TiO2/g-C3N4 heterojunctions. The degradation rate was 98.77%, 90.59%, and 89.16% for the three catalytic reaction cycles of the MB solution, respectively. The composite showed a high degradation rate of the MB solution after three cycles, which indicated that the composite had good recyclability. Through the free radical capture test, it was elucidated that O2−·, h+, and ·OH all played a role in the photocatalytic reaction of the TiO2/g-C3N4/diatomite to the MB solution, in which O2−· was mainly responsible for the photocatalytic oxidation mechanism, and the reaction kinetics were further investigated. This nanostructured TiO2/g-C3N4/diatomite composite has fascinating visible light catalytic activity and excellent stability.

Controlled Synthesis of Ag-SnO2/α-Fe2O3 Nanocomposites for Improving Visible-Light Catalytic Activities of Pollutant Degradation and CO2 Reduction

The key to developing highly active α-Fe2O3-based photocatalysts is to improve the charge separation and efficiently utilize the electrons with sufficient thermodynamic energy. Herein, α-Fe2O3 nanosheets (FO) were synthesized using a metal-ion-intervened hydrothermal method and then coupled with SnO2 nanosheets (SO) to obtain SO/FO nanocomposites. Subsequently, nanosized Ag was selectively loaded on SO using the photo-deposition method to result in the ternary Ag-SO/FO nanocomposites. The optimal nanocomposite could realize the efficient aerobic degradation of 2,4-dichlorophenol as a representative organic pollutant under visible-light irradiation (>420 nm), exhibiting nearly six-fold degradation rates of that for FO. Additionally, the Ag-SO/FO photocatalyst is also applicable to the visible-light degradation of other organic pollutants and even CO2 reduction. By using steady-state surface photovoltage spectroscopy, fluorescence spectroscopy, and electrochemical methods, the photoactivity enhancement of Ag-SO/FO is principally attributed to the improved charge separation by introducing SO as an electron platform for the high-energy-level electrons of FO. Moreover, nanosized Ag on SO functions as a cocatalyst to further improve the charge separation and facilitate the catalytic reduction. This work provides a feasible design strategy for narrow-bandgap semiconductor-based photocatalysts by combining an electron platform and a cocatalyst.

Enhanced visible light catalytic activity of holey Ti3C2 based catalyst for azo dyes

The efficient degradation of organic dye pollutions is of great importance for environmental remediation. In this work, we prepared holey Ti3C2 (H-Ti3C2) and further synthesized H-Ti3C2/Ag/AgX (Cl, Br, I) Schottky catalysts by a simple electrostatic self-assembly method, and found that H-Ti3C2 could significantly improve the catalytic activity and stability of AgX. The H-Ti3C2/Ag/AgX composites showed great visible light absorption, obvious photocurrent intensity, and high charge transfer efficiency, ultimately improving photocatalytic efficacy for the degradation of methyl orange (MO) dye. The composite (5 wt%) H-Ti3C2/Ag/AgBr has the greatest photocatalytic activity, degrading 99.2% of the MO solution after 40 min of visible light irradiation, which is 1.08 and 2.02 times more than (5 wt%) Ti3C2 /Ag/AgBr and Ag/AgBr, respectively. The photocatalytic performance of H-Ti3C2/Ag/AgBr for MO dyes remains at 51% after five cycles. This result indicates that combining H-Ti3C2 with other photosensitive semiconductors to improve the catalytic activity and stability offers great possibilities. The present work not only provides a simplified method for the preparation of H-Ti3C2/Ag/AgX composites, but also offers a great possibility for H-Ti3C2 MXene as a co-catalyst to increase the photocatalytic degradation efficiency of organic pollutants.

The effects of Ag-ions on the physiochemical characteristics and visible-light catalytic activity of ZnS nanoparticles

In this case of study, the pure and different weight percentages of Ag ions doped ZnS Nanoparticles were synthesized by beneficial solid-state reaction method. Further, the synthesized nanoparticle’s physiochemical properties were thoroughly examined by the appropriate characterization tools. The structural examination demonstrates that the synthesis of crystalline nanoparticles with an average crystallite size of 2.41 nm was reduced from 3.68 nm to 2.41 nm and increased further due to the influence of Ag-ions on ZnS matrix. The FT-IR investigation validated the Zn-S functional molecule presence. A considerable quantity of spherical-shaped nanoparticles with uniform distribution enhances the possibility of aggregation due to heterogeneous particle interactions. The optical research demonstrates that the bandgap wideness is decreasing due to Ag-ion interstitial secondary energy levels. Due to the limitations in charge carrier recombination caused by Ag-influences, the catalytic capability of ZnS nanoparticles under renewable sunlight irradiation is enhanced. As a result, the Ag-doped ZnS nano-catalyst degraded 95 % of the detrimental MO dyes within a short sun light irradiation period.

Surface double modification and photocatalytic performance of graphite carbon nitride

Grafting of the surface hydroxyl group with a coupling agent enhanced the visible light catalytic activity of graphite carbon nitride.

Photocatalytic transfer of aqueous nitrogen into ammonia using nickel-titanium-layered double hydroxide.

The development of solar-driven transfer of atmospheric nitrogen into ammonia is one of the green and sustainable strategies in industrial ammonia production. Nickel-titanium-layered double hydroxide (NiTi-LDH) was synthesised using the soft-chemical process for atmospheric nitrogen fixation application under photocatalysis in an aqueous system. NiTi-LDH was investigated using advanced characterisation techniques and confirmed the potential oxygen vacancies and/or surface defects owing to better photocatalytic activity under the solar spectrum. It also exhibited a bandgap of 2.8eV that revealed its promising visible-light catalytic activities. A maximum of 33.52µmol L-1 aqueous NH3 was obtained by continuous nitrogen (99.9% purity) supply into the photoreactor under an LED light source. Atmospheric nitrogen supply (≈78%) yielded 14.67µmol L-1 aqueous NH3 within 60min but gradually reduced to 3.6µmol L-1 at 330min. Interestingly, in weak acidic pH, 20.90µmol L-1 NH3 was produced compared to 11.51µmol L-1 NH3 in basic pH. The application of NiTi-LDH for visible-light harvesting capability and photoreduction of atmospheric N2 into NH3 thereby opens a new horizon of eco-friendly NH3 production using natural sunlight as alternative driving energy.

Constructing a novel S-scheme Ag/MIL-68(In)-NH2/Bi4O7 plasmonic heterojunction with boosted visible light catalytic activity

Environmental pollution caused by the overusage and uncontrolled discharge of antibiotics such as amoxicillin will endanger public health and ecosystems. Herein, a novel Ag/MIL-68(In)-NH2/Bi4O7 plasmonic heterojunction has been successfully prepared through a two-step route followed by photoreduction for environmentally friendly photocatalytic amoxicillin degradation. Ag/MIL-68(In)-NH2/Bi4O7 displayed the most efficient photocatalytic performance, which was 3.7 and 3.2 times that of Bi4O7 and MIL-68(In)-NH2, respectively. The superior photocatalytic activity was directly linked to its large surface area and localized surface plasmon resonance (LSPR) effect, which provides more active sites and effectively promotes visible light absorption. Moreover, the degradation path of amoxicillin was explored in detail by combining Gaussian software calculation with liquid chromatography-mass spectrometry (LC-MS) analysis. Finally, a series of characterizations and simulations were carried out to demonstrate the S-scheme photocatalytic mechanism.

Synthesis and visible light catalytic activity of Ag3PO4/Bi2SiO5 nanocomposites

Ag3PO4/Bi2SiO5 nanocomposite photocatalyst was synthesized by ultrasonic assisted precipitation method. The composition and morphology of Ag3PO4/Bi2SiO5 were characterized by XRD, SEM, EDS, HRTEM and XPS. Ag3PO4/Bi2SiO5 has good degradation capacity for non-azo dyes MB and RhB, but low degradation capacity for azo dyes MO. After irradiation with 70 ​W metal halide lamp for 60 ​min, the degradation efficiency of RhB, MB, MO by Ag3PO4/Bi2SiO5 was 92.86%, 95.56% and 33.90%, respectively. According to COD analysis, the mineralization efficiency of RhB reached 73.92% after irradiation with 70 ​W metal halide lamp for 120 ​min. The nanocomposite photocatalyst has good reusability and stability. The photocatalytic reaction mechanism was speculated. The good photocatalytic activity of Ag3PO4/Bi2SiO5 can be attributed to its large specific surface area, enhanced visible light absorption capacity, high separation rate of photogenerated electron-hole pairs and heterojunction structure. Free radical capture experiments showed that ·O2− and h+ were the mainly active species in the photocatalytic reaction process.

All-solid Z-scheme Bi/γ-Bi2O3/O-doped g-C3N4 heterojunction with Bi as electron shuttle for visible-light photocatalysis

In order to broaden the spectral response range of graphitic carbon nitride (g-C 3 N 4 ) and improve its visible-light catalytic activity, the method of ethanol-assisted solvo-thermal pretreatment and subsequent polymerization was used to prepare Bi/γ-Bi 2 O 3 nanoparticles modified O-doped g-C 3 N 4 (Bi/γ-Bi 2 O 3 /EtCN). During the polymerization of g-C 3 N 4 , oxygen doping brought about a richer pore structure , while ethanol and urea promoted the formation of sub-stable γ-Bi 2 O 3 , and most importantly, these reactions were achieved simultaneously to successfully fabricate the all-solid Z-scheme structure. The obtained Bi/γ-Bi 2 O 3 /EtCN showed much higher activity in the visible-light photocatalytic degradation of bisphenol A (BPA) than that of g-C 3 N 4 and EtCN, where the degradation rate of 0.03Bi/γ-Bi 2 O 3 /EtCN was 15.67 times higher than that of g-C 3 N 4 , showing excellent visible photocatalytic performance. The improvement of the activity of Bi/γ-Bi 2 O 3 /EtCN mainly caused by the formation of all-solid Z-scheme heterojunction between γ-Bi 2 O 3 and EtCN with Bi as the electron shuttle, which broadened the light absorption range of the catalyst, promoted the effective separation of electron-hole pairs. It was also found that •O 2 − played a major role and h + played a secondary role during BPA degradation process using 0.03Bi/γ-Bi 2 O 3 /EtCN as the photocatalyst , which confirmed the mechanism of Z-scheme heterojunction. • A novel all-solid Z-scheme Bi/γ-Bi 2 O 3 /O-doped g-C 3 N 4 heterojunction was prepared. • Bi/γ-Bi 2 O 3 /O-doped g-C 3 N 4 exhibited a much higher activity than bulk g-C 3 N 4 . • Bi plays a role as electron shuttle, leading to the formation of •O 2 - .

Bifunctional metastable LaOCl@hcp-Ni nanocomposite via Mott-Schottky effect for improved photoelectrocatalytic and photocatalytic activities

Fabrication of low-cost, stable and highly efficient catalysts for clean energy and environmental control applications is an urgent task. In this work, we have successfully synthesized a multifunctional two-dimensional rare earth-based LaOCl@hcp-Ni heterostructure via a simple one-pot method. Here, the semiconductor LaOCl nanoparticles were well deposited on the metastable metal hcp-Ni, and the hexagonal close-packed structure of hcp-Ni matched the layered-structure LaOCl to form a highly active LaOCl@hcp-Ni Schottky catalyst. Furthermore, LaOCl@hcp-Ni were tested for Photoelectrochemical (PEC) oxygen evolution reaction (OER) in alkaline media and the photocatalytic (PC) degradation of Rhodamine B (RhB) in aqueous solution. LaOCl@hcp-Ni shows excellent PEC-OER catalytic activity and RhB degradation performance under artificial simulated sunlight. This enhancement of PEC and PC performance is due to the Schottky interface constructed by the coupling of hcp-Ni and LaOCl, which generates an interface electric field to effectively promote the transfer of photogenerated electrons from the semiconductor LaOCl to the metal hcp-Ni through the interface. Thus, energy band gap of LaOCl with oxygen defects is adjusted to the visible light region and their valence state of La is lowered, realizing high-efficiency visible light catalytic activity. Thus, it would be a potential rare earth-based Schottky catalyst, which can be used for the PEC oxygen evolution and the PC degradation of organic pollutants. • We successfully synthesized a bifunctional LaOCl@hcp-Ni nanocomposite as Schottky catalyst for PEC-OER and PC degradation of RhB. • Metal hcp-Ni with a metastable structure has high catalytic performance due to its low symmetry. However, its synthesis is difficult and usually requires high pressure conditions. We successfully synthesized hcp-Ni under mild oleylamine solution conditions at 320 °C. • This enhancement of PEC and PC performance is due to the Schottky interface effect between the semiconducting LaOCl and the metallic hcp-Ni, as well as the synergistic effect of the structural distortion and defects of the LaOCl.

Sn2+ reduction to synthesis of the Mo doped hollow hierarchical Bi/BiOBr microspheres for efficient ciprofloxacin degradation under visible light

In this study, the Mo-doped hollow hierarchical Bi/BiOBr microspheres are prepared by the solvothermal method with the Sn2+ as reductant. The prepared composites show a good degradation effect for ciprofloxacin (CIP) under visible light. Especially, the BSM-22 composite show the best photocatalytic activity, with the apparent rate constant k as high as 0.03014 min−1, which is 26.9 times that of the pure BiOBr. It is assumed that the introduction of Sn2+ facilitate the formation of hollow hierarchical microspheres structure of BiOBr microspheres and the appearance of metallic Bi on the surfaces. Therefore, the transfer and separation efficiency of photogenerated charges is increased in the composites. Impressive, benefit from the microtopography of the hollow structure, the specific surface area of the BSM-22 (53.476 m2/g) is 21.76 times than that of the BiOBr (2.458 m2/g). The doping of Mo reduces the band gap of BiOBr (exactly from 2.61 to 1.96 eV) and broaden the photoabsorption region. Therefore, the photocatalytic activity of the Mo-doped Bi/BiOBr microspheres are heavily improved in dealing with different kinds of antibiotic molecules. More importantly, these results show that the design strategies of heteroatom doping, metal bismuth production, and morphology control of the bismuth oxybromide composite can greatly improve the visible-light catalytic activity.

Oxygen vacancies induced narrow band gap of BiOCl for efficient visible-light catalytic performance from double radicals

• Thiourea induces oxygen deficiency in BiOCl. • The oxygen vacancy can adjust the band structure. • Oxygen vacancy promotes the production of superoxide radicals. • Polycarboxylic acids regulate the three-dimensional hierarchical structure of BiOCl. In this work, a high-efficiency photocatalytic BiOCl material with a visible light absorption range was successfully prepared by one-pot molecular self-assembly and particle recrystallization method at room temperature. In the process of crystal growth, tartaric acid, as a structure control agent, gradually transforms the stacked two-dimensional nano-sheet-like BiOCl into a hierarchical structure composed of petal-like nano-sheets through hydrogen bonding. Besides, the acid etching of organic carboxylic acid on the crystal surface increases the number of micropores and mesopores, thereby the reaction interface. The thiourea (TU) molecules adsorbed on the BiOCl surface with a strong electronic effect introduce oxygen vacancies (OVs) under the condition of low oxygen content. The synergistic effect of hierarchical structure and OVs reduces the recombination of photogenerated carriers, but absorbs more O 2 and OH − to generate a large number of superoxide radicals (·O 2 − ) and hydroxyl radicals (·OH) effectively. The photocatalytic performance of the synthesized BiOCl material has been significantly improved, and it can effectively degrade 94.15% of rhodamine B (RhB) within 20 min. Furthermore, 90.95% of tetracycline (TC), 93.76% of ciprofloxacin (CIP), and 85.53% of methyl orange (MO) can be removed in 80 min. Therefore, our work provides an effective method for preparing BiOCl with visible light catalytic activity, which, of course, can be used to treat and repair actual environmental problems under mild conditions.

Enhanced visible-light catalytic activity of micro-patterned ZnFe2O4/Fe3+-TiO2 heterojunction composite thin films prepared by photolithography-assisted chemical solution deposition

Micro-patterned ZnFe2O4/Fe3+-TiO2 (ZFO/FTO) heterojunction composite thin films were fabricated by lithography-assisted chemical solution deposition. Their hydrophilicities and photocatalytic activities were investigated in comparison to those of FTO, ZFO and un-patterned ZFO/FTO (UP-ZFO/FTO) films. All micro-patterned ZFO/FTO films present the improved hydrophilicity, and their water contact angles decline with decrease of pattern periods. These films were used to degrade methylene blue (MB) under visible-light irradiation. Their visible-light catalytic activity have been enhanced, which increase with decrease of pattern period. Under the synergistic effect of heterojunction interface and micro-pattern surface, the catalytic degradation rate of MB using a ZFO/FTO film with a pattern period of 5 μm (ZFO-5/FTO) is more than 2 times as that utilizing UP-ZFO/FTO film, and over 3 times as that of FTO film. Furthermore, ZFO-5/FTO film catalyst can be recycled, and its catalytic performance does not decrease with the number of cycles.

First-principles investigation of electronic and optical properties of Fe doped in CsBrO3 for enhanced photocatalytic hydrogen production

Self-consistent ab initio calculations carried out using full potential augmented plane wave (FP-LAPW) method were performed to study the electronic, optical and photocatalytic properties of CsBrO3 and Fe doped CsBrO3. Ground state and formation energy for CsBrO3-perovskite are calculated and analyzed. The magnetic moment of Cs, Br, Fe and O are calculated in CsBrO3 and CsBr0.34Fe0.66O3. The band structure, total and partial density of states (DOS) diagrams are discussed.The CsBrO3 have semiconductor character with a wide direct gap. The value of gap energy is 4.24 eV of CsBrO3. Fe doped in CsBrO3 lead to band gap narrowing 1.02 eV for spin up and 1.434 eV for spin dn , which enhances the visible light catalytic activity. The conduction band minimum (CBM) and valence band maximum (VBM) potentials vs. normal hydrogen electrode (NHE) are calculated and analyzed. The general profiles of the optical spectra and the optical properties, including the real and imaginary part of dielectric function, reflectivity, absorption and optical conductivity are discussed. Our results predict that Fe doped CsBrO3 is a promising visible light photo-catalyst for hydrogen production by water splitting.