Anatase TiO2 Research Articles

The Influence of Au Loading and TiO2 Support on the Catalytic Wet Air Oxidation of Glyphosate over TiO2+Au Catalysts

This study aimed to explore the impact of varying amounts of added Au (0.5 to 2 wt.%) and the structural characteristics of anatase TiO2 supports (nanoparticles (TP, SBET = 88 m2/g) and nanorods (TR, SBET = 105 m2/g)) on the catalytic efficiency of TiO2+Au catalysts in eliminating the herbicide glyphosate from aqueous solutions via the catalytic wet air oxidation (CWAO) process. The investigation was conducted using a continuous-flow trickle-bed reactor. Regardless of the TiO2 support and the amount of Au added, the addition of Au has a positive effect on the glyphosate degradation rate. Regarding the amount of Au added, the highest catalytic activity was observed with the TP + 1% Au catalyst, which had a higher Schottky barrier (SB) than the TP + 2% Au catalyst, which helped the charge carriers in the TiO2 conduction band to increase their reduction potential by preventing them from returning to the Au. The role of glyphosate degradation product adsorption on the catalyst surface is crucial for sustaining the long-term catalytic activity of the investigated TiO2+Au materials. This was particularly evident in the case of the TR + 1% Au catalyst, which had the highest glyphosate degradation rate at the beginning of the CWAO experiment, but its catalytic activity then decreased over time due to the adsorption of glyphosate degradation products, which was favoured by the presence of strong acidic sites. In addition, the TR + 1% Au solid had the smallest average Au particle size of all analyzed materials, which were more easily deactivated by the adsorption of glyphosate degradation products. The analysis of the degradation products of glyphosate shows that the oxidation of glyphosate in the liquid phase involves the rupture of C–P and C–N bonds, as amino-methyl-phosphonic acid (AMPA), glyoxylic acid and sarcosine were detected.

Atom Pairing Enhances Sulfur Resistance in Low-Temperature SCR via Upshifting the Lowest Unoccupied States of Cerium.

Environmentally benign cerium-based catalysts are promising alternatives to toxic vanadium-based catalysts for controlling NOx emissions via selective catalytic reduction (SCR), but conventional cerium-based catalysts unavoidably suffer from SO2 poisoning in low-temperature SCR. We develop a strongly sulfur-resistant Ce1+1/TiO2 catalyst by spatially confining Ce atom pairs to different anchoring sites of anatase TiO2(001) surfaces. Experimental results combined with theoretical calculations demonstrate that strong electronic interactions between the paired Ce atoms upshift the lowest unoccupied states to an energy level higher than the highest occupied molecular orbital (HOMO) of SO2 so as to be catalytically inert in SO2 oxidation but slightly lower than HOMO of NH3 so that Ce1+1/TiO2 has desired ability toward NH3 activation required for SCR. Hence, Ce1+1/TiO2 shows higher SCR activity and excellent stability in the presence of SO2 at low temperatures with respect to supported single Ce atoms. This work provides a general strategy to develop sulfur-resistant catalysts by tuning the electronic states of active sites for low-temperature SCR, which has implications for practical applications with energy-saving requirements.

Effect of the reorganization of acid sites induced by metal species on TiO2 supports on the conversion of furfural to acetals and ethers

For the catalytic hydrogenation of furfural (FFR) over supported metal catalysts, acetals and ethers were often observed as by-products when alcohols were used as solvents. The presence of specific acid sites on the catalyst led to the conversion of FFR to acetals and ethers. To understand the effect of the interaction between metal species and oxide supports on the acid properties of catalysts and the conversion of FFR to acetals and ethers, anatase TiO2 (TiO2-A), rutile TiO2 (TiO2-R) and these TiO2 supported Ni catalysts were studied as models. The relationship between the acid properties of these samples and FFR conversion pathways in isopropanol was revealed. The interaction between Ni species and TiO2 supports was found to selectively remove Brønsted acid sites on the TiO2 supports in the absence of H2, thereby inhibiting the conversion of FFR to acetals and ethers in N2. However, the presence of high-pressure H2 during the reaction induced the formation of new Brønsted acid sites on Ni/TiO2 catalysts via hydrogen spillover, promoting the acetalization of FFR to acetals and the hydrogenolysis of acetals to ethers. The Ni/TiO2-A catalyst exhibited higher activity in catalyzing the conversion of FFR to acetals and ethers compared to the Ni/TiO2-R catalyst. This work provides reference information for the selective regulation of acid-catalyzed reaction pathways of FFR in alcohols.

Cu-Doped TiO2 Thin Films by Spin Coating: Investigation of Structural and Optical Properties

Cu-doped TiO2 films were synthesized directly on FTO glass with a spin coating method. With a variation in copper amount, samples were prepared with 0%, 1%, 2%, 4% and 8% of dopant concentrations. Morphological and structural characterization of undoped and Cu-doped TiO2 samples were investigated and the obtained results showed the small, spherical shapes of the nanoparticles forming a thin film on top of FTO glass and their preferred orientation of TiO2 anatase (101), which is the same for each sample. However, this peak exhibited a slight shift for the 2% sample, related to the inflation of the microstrain compared to the other samples. For the optical properties, the 4% sample displayed the highest transmittance whereas the 2% sample exhibited the lowest band gap energy of 2.96 eV. Moreover, the PL intensity seems to be at its highest for the 2% sample due to the present peaking defects in the structure, whereas the 8% sample shows a whole new signal that is related to copper oxide. These properties make this material a potential candidate to perform as an electron transport layer (ETL) in solar cells and enhance their power conversion efficiency.

Fast Response UV Photodetector Based on Aligned Arrays of Anodic Anatase TiO2 Nanotubes

Fast Response UV Photodetector Based on Aligned Arrays of Anodic Anatase TiO2 Nanotubes

Bound exciton engineering approach for tuning the thermal lensing phenomenon in anatase TiO2: Gd nanosystems

We report a comprehensive investigation of the third-order nonlinear interaction of femtosecond laser pulses with nanostructured anatase TiO2 doped with varying concentrations of gadolinium impurities. The samples were synthesized using a facile sol‒gel method. The physicochemical characteristics of the prepared samples were investigated using various analytical techniques, including XRD, SEM, TEM, SAED, UV‒Vis, PL and XPS. The average crystallite sizes of the pristine TiO2- and Gd (1, 2, and 3 %)-doped TiO2 nanoparticles were calculated to be 10.9, 9.2, 10.2 and 8.9 nm, respectively. The W-H plots also revealed average crystallite sizes in the range of 13.9, 16.6, 13.9 and 10.4 for pristine and Gd (1, 2, 3 %)-doped TiO2 nanoparticles. The lattice strain values for pristine and Gd (1, 2, and 3 %) doped TiO2 nanoparticles were computed as 0.00203, 0.00667, 0.0036 and 0.00262, respectively, from the W‒H plots. The average crystallite size was calculated to 9.2 nm from the TEM images using ImageJ software. The optical band gap values of pristine TiO2 and Gd (1, 2, and 3 %)-doped TiO2 nanoparticles were calculated to be 3.3, 3.23, 3.21 and 3.20 eV from the Kubelka–Munk function plot. The emission peaks of pristine and Gd(1,2,3 %) doped TiO2 nanoparticles were calculated as 3.2, 3.23, 3.26 and 3.32 eV from the photoluminescence spectra recorded at 330 nm photo excitation. The binding energies of the O1s, Ti2P and Gd4d peaks present in the survey scan of TiO2 nanoparticles doped with one weight percentage of Gd impurity were 528.79, 531.53, 457.53, 463.25 and 149.6 eV, respectively. The third-order nonlinear characteristics of the TiO2:Gd samples were probed using the ultrafast laser Z-scan technique. We observed that the density of bound excitons can be regulated by controlling the dopant concentration. The strong oscillatory interactions between photogenerated bound excitons, which act as dipole oscillators with large oscillating frequencies, were recorded using a single-beam femtosecond Z-scan. The third-order nonlinear susceptibility χ(3) for pristine and Gd(1,2,3 %)-doped TiO2 nanoparticles were calculated as 7.258 × 10-18, 9.4 × 10-18, 11 × 10-18 and 13 × 10-18 cm2/V2, respectively. The obtained results suggest that the thermal lensing phenomenon in nanostructured anatase TiO2 can be generated and effectively controlled using a band gap engineering technique. We determined that the small pump power in nonlinear media with controllable band fluctuations can produce large phase distortions in TiO2:Gd nanosystems. Our findings reveal that Gd doping induces controlled modification of the electronic structure of TiO2, leading to a tailored energy landscape for exciton formation and binding. These findings provide a novel approach for engineering systems of TiO2-based nanostructures for energy-efficient optical-limiting nanophotonic systems and optoelectronic-switching devices.

Highly efficient recycling of polyester wastes to diols using Ru and Mo dual-atom catalyst

The chemical recycling of polyester wastes is of great significance for sustainable development, which also provides an opportunity to access various oxygen-containing chemicals, but generally suffers from low efficiency or separation difficulty. Herein, we report anatase TiO2 supported Ru and Mo dual-atom catalysts, which achieve transformation of various polyesters into corresponding diols in 100% selectivity via hydrolysis and subsequent hydrogenation in water under mild conditions (e.g., 160 °C, 4 MPa). Compelling evidence is provided for the coexistence of Ru single-atom and O-bridged Ru and Mo dual-atom sites within this kind of catalysts. It is verified that the Ru single-atom sites activate H2 for hydrogenation of carboxylic acid derived from polyester hydrolysis, and the O-bridged Ru and Mo dual-atom sites suppress hydrodeoxygenation of the resultant alcohols due to a high reaction energy barrier. Notably, this kind of dual-atom catalysts can be regenerated with high activity and stability. This work presents an effective way to reconstruct polyester wastes into valuable diols, which may have promising application potential.

In situ nitrogen-doped graphene-TiO2 nano-hybrid as an efficient photocatalyst for pollutant degradation.

To solve environmental-related issues (wastewater remediation, energy conservation and air purification) caused by rapid urbanization and industrialization, synthesis of novel and modified nanostructured photocatalyst has received increasing attention in recent years. We herein report the facile synthesis of in situ nitrogen-doped chemically anchored TiO2 with graphene through sol-gel method. The structural analysis using X-ray diffraction showed that the crystalline nitrogen-doped graphene-titanium dioxide (N-GT) nanocomposite is mainly composed of anatase with minor brookite phase. Raman spectroscopy revealed the graphene characteristic band presence at low intensity level in addition to the main bands of anatase TiO2. X-ray photoelectron spectroscopy analysis disclosed the chemical bonding of TiO2 with graphene via Ti-O-C linkage, also the substitution of nitrogen dopant in both TiO2 lattice and into the skeleton of graphene nanoflakes. UV-Vis absorption spectroscopy analysis established that the modified material can efficiently absorb the longer wavelength range photons due to its narrowed band gap. The N0.06-GT material showed the highest degradation efficiency over methylene blue (MB, ∼98%) under UV and sulfamethoxazole (SMX, ∼ 90.0%) under visible light irradiation. The increased activity of the composite is credited to the synergistic effect of high surface area via greater adsorption capacity, narrowed band gap via increased photon absorption, and reduced e-/h+ recombination via good electron acceptability of graphene nanoflakes and defect sites (Ti3+ and oxygen vacancy(Vo)). The ROS experiments further depict that primarily hydroxyl radicals (OH•) and superoxide anions (O2•-) are responsible for the pollutant degradation in the process redox reactions. In summary, our findings specify new insight into the fabrication of this new material whose efficiency can be further tested in applications like H2 production, CO2 conversion to value-added products, and in energy conservation and storage.

Studies on the development and performance of natural dye-sensitised solar cell

ABSTRACT Dye-sensitised solar cells (DSSCs) have gained popularity as a cost-effective alternative to silicon-based solar cells. The present study, provides a unique approach for the construction of DSSCs using anatase titanium dioxide (TiO2) as the photoelectrode material and natural fruit extracts (blackcurrent and pomegranate) as photosensitisers. To generate a compact and homogenous TiO2 anatase layer, nanoparticles are deposited onto a transparent conducting fluorine-doped tin oxide glass. Subsequently, natural fruit extracts were added to the TiO2 anatase film, functioning as photosensitisers to absorb sunlight and start the electron transfer process. Each fruit extract unique chemical makeup adds to the absorption of various wavelengths, widening the DSSC's light absorption spectrum. A thin graphite coating was applied to a conducting material for the generation of a counter electrode, which completes the DSSC structure. The sensitised TiO2 anatase layer and counter electrode are joined together, with a redox electrolyte filling the gap between them. Current–voltage measurements used to characterise the manufactured DSSC during simulated solar irradiation. The DSSC's efficiency was calculated as 0.4–18% based on the produced photocurrent and incident light intensity. The study’s finding shows that a DSSC can be successfully fabricated because of its low manufacturing cost and low harmful. It has wide applicability in renewable energy sectors.

Preparation of Pt and bamboo charcoal co-modified TiO2 for formaldehyde sensing at room temperature.

Anatase TiO2 has evolved into one of the most attractive materials for gas sensing owing to its strong oxidation activity and excellent sensing properties. In this study, we prepared Pt and bamboo charcoal co-modified nano-TiO2 using a one-pot hydrothermal process and applied it to detect formaldehyde. The successful incorporation of the precious metal Pt and bamboo charcoal onto TiO2 was confirmed by scanning electron microscope, transmission electron microscopy, energy dispersive spectrometer, X-ray diffraction and X-ray photoelectron spectroscopy. Detailed analysis revealed a homogeneous distribution of Pt nanoparticles and bamboo charcoal on the TiO2 surface, which significantly improved the surface area and facilitated gas adsorption. These modifiers significantly enhanced the response of TiO2 to formaldehyde, for instance, the response signal increased fourfold, while the response time decreased from 91 to 68 s. The sample with 0.5@Pt and 0.5@C bamboo charcoal performed the best, showcasing the synergistic effect of metal nanoparticles and carbonaceous materials on gas-sensing properties. Our work highlighted the potential of using biomass-derived carbon to enhance the detection of formaldehyde and demonstrated the importance of material characteristics in designing effective gas sensors.

Fabrication of high photocatalytic activity photocatalysts with TiO2 supported on lamellar BiOCl

A lamellar nanostructure consisting of anatase TiO2/BiOCl was effectively developed while employing the approach of solvothermal. The samples underwent comprehensive analysis of their phase structures, morphologies, surface areas, optical properties, and electronic states using various techniques including x-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), x-ray photoelectron spectroscopy (XPS), Brunauer–Emmett–Teller (BET) method, UV–vis diffuse reflectance spectra (UV–vis DRS), Fourier transform infrared spectroscopy (FTIR), and photoluminescence spectroscopy(PL). The photoelectrochemical data demonstrated that the incorporation of anatase TiO2 nanoparticles into the BiOCl lamellar structure significantly improved its photocatalytic efficiency to degrade Malachite Green (MG) in UV light, surpassing the performance of both pure BiOCl and anatase TiO2. Additionally, the study delved into the photocatalytic mechanism responsible for this enhanced performance. The superior photocatalytic efficiency of the anatase TiO2/BiOCl composites can be ascribed to higher surface area, smaller crystallite size, stronger light absorption and improved charge separation efficiency.

Enhanced photoluminescence and structural properties of Zn-doped anatase TiO2 nanoparticles

Undoped and zinc-doped TiO2 nanoparticles (NPs) were synthesized by the sol–gel method. The XRD spectra revealed that both synthesized undoped and Zn-doped TiO2 NPs remain in the anatase phase after calcined at 500 °C. The crystallite size was increased from 17 to 52 nm as the Zn content was increased from 0 to 0.2 mol%, which implies also a decrease of the micro-strain and surface area. The agglomerated spherical-like morphology with a diameter of roughly 10–20 nm was shown by SEM and TEM micrographs. The bandgap values were found to be decreased from 3.2 to 3.0 eV when Zn concentration increased from 0 to 0.2 mol%. A reduction in bandgap with an increase in dopant concentration may due to the increased in crystallite size along with enhanced lattice parameters (i.e., a and c) and d-spacing. From PL spectra, all samples exhibited a broad emission band in the visible region of about 400–500 nm centered at 430 nm. The highest PL emission was obtained for 0.2 mol% Zn doping. The broad PL emission over the visible range is greatly reduced at 0.4 mol% Zn due to concentration quenching. It is suggested that the Zn2+ doping induced oxygen vacancies which could promote the photoluminescence processes.

Examining the dual effect of copper nanoparticles and nitrogen doping on Cu@N-TiO2

Abstract The study of six compositions of Cu@N-TiO2 with different amounts of copper and nitrogen synthesized using a sol–gel method is reported. X-ray diffraction patterns and Raman spectra indicated the formation of a single anatase TiO2 phase in all materials without evidence of secondary phases including copper or nitrogen. Electron microscopy images showed a homogeneous distribution of the copper particles around a TiO2 matrix, just as that the insertion of nitrogen did not have a significant effect on the morphology of the particles. X-ray photoelectron spectroscopy analysis confirmed that nitrogen was inserted in the atomic arrangement of titanium dioxide, while copper was presented mainly as metallic element on the TiO2 surface. Characterization of the optical properties and photoactivity test confirm that band gap strongly depends on the copper and nitrogen content phenomenon attributed to the combined presence of modifiers over the TiO2 surface and the promotion of a plasmonic effect, which displaced the absorption UV bands to higher wavelengths with respect to un-doped TiO2. The catalytic test performed using rhodamine-B as probe molecule, confirm that TiCuN2 and TiCuN3 samples exhibit the best decomposition percentages of 38 and 36 % respectively. Such results confirm the surface plasmon resonance effect associated to Cu particles on the TiO2 as main cause in the increase in current along synthesized samples and the use of cyclic voltammetry technique to identify these effects between 0.0 and 1.5 V.

Varistor response and structural analysation of silver mixed TiO2 (anatase) nanoparticles

Varistor response and structural analysation of silver mixed TiO2 (anatase) nanoparticles

Synthesis and stabilization of anatase form of biomimetic TiO2 nanoparticles for enhancing anti-tumor potential

Abstract The present study emphasizes the stabilization of the biologically active anatase form of titanium dioxide (TiO2) nanoparticles (NP). TiO2 NP require stringent conditions for chemical synthesis and are usually a mixture of biologically inactive bulk rutile and the active bulk anatase forms. We utilized the culture pellet of the Exiguobacterium aestuarii SBG4 MH185868 to synthesize and stabilize the anatase form of TiO2 NP. The NP showed λ max at ∼350 nm and scanning electron microscope micrographs indicated their oval and spherical shape. Steric stabilized anatase TiO2 NP exhibited substantial cytotoxicity of up to 80% reduction in cell viability at 100 µg against cervical cancer derived HeLa and SiHa cell lines, whereas the rutile form showed least cytotoxicity. Clonogenic inhibition assay of HeLa cells showed dose-dependent decline with a 75% reduction in colony formation at 100 µg TiO2 NP and cell migration assay revealed significant inhibition in recovery of the wound/scratch in presence of anatase form of TiO2 NP (10–33% at 24 h and 42–79% at 48 h). Co-incubation of HeLa cells with anatase TiO2 NP in chorioallantoic membrane of embryonated chick eggs prevented the formation of new capillaries (20 ± 5% compared with control groups), indicating appreciable anti-angiogenic activity of the NP. Further, TiO2 NP tagged with doxorubicin and paclitaxel exhibited enhanced cytotoxicity against cancer cells at very low concentrations of 9 and 120 nM itself, indicating their anti-tumor potential. In conclusion, biomimetic anatase TiO2 NP have significant anti-proliferative and anti-angiogenic activity and can have potential application in tagging with generic anti-cancer drugs for enhanced cytotoxicity against cancer cells.

Characterization and comparison of titanium dioxide nanoparticles prepared by microwave and pulse laser ablation liquid methods

This study synthesized titanium dioxide (TiO2) quickly and cheaply using microwaves and pulsed laser ablation. Titanium isopropoxide (Ti[OCH(CH3)2]4) was the precursor and deionized water (DIW) was the solvent and reducer for sub-micrometer particle production in microwave technique. TiO2 nanoparticles were synthesized in pulsed laser ablation liquid medium after a 5-minute preparation period in a 1200 W commercial microwave and a 1-hour annealing at 400°C. A Q-switched Nd:YAG laser with 480 mJ energy per pulse was used for 100, 200, and 300 pulses. Multiple methods, including XRD, BET, and EDX. XRD showed anatase TiO2 in microwave-synthesised nanoparticles. Pulsed laser ablation produced pure TiO2 nanoparticles with a brookite crystalline structure. In microwave BET analysis, TiO2 has a large surface area of 72.727 to 108.28 m2/g. BET analysis indicated 82.44 to 98.67 m2/g of TiO2 surface area by pulsed laser ablation. Strong titanium (Ti) and oxygen (O) peaks in microwave and pulsed laser ablation EDX tests showed nanoparticle purity.

Water Structure in the First Layers on TiO2: A Key Factor for Boosting Solar-Driven Water-Splitting Performances.

The water hydrogen-bonded network is strongly perturbed in the first layers in contact with the semiconductor surface. Even though this aspect influences the outer-sphere electron transfer, it was not recognized that it is a crucial factor impacting the solar-driven water-splitting performances. To fill this gap, we have selected two TiO2 anatase samples (with and without B-doping), and by extensive experimental and computational investigations, we have demonstrated that the remarkable 5-fold increase in water-splitting photoactivity of the B-doped sample cannot be ascribed to effects typically associated to enhanced photocatalytic properties, such as band gap, heterojunctions, crystal facets, and other aspects. Studying these samples by combining FTIR measurements under controlled humidity with first-principles simulations sheds light on the role and nature of the first-layer water structure in contact with the photocatalyst surfaces. It turns out that the doping hampers the percolation of tetrahedrally coordinated water molecules while enhancing the population of topological H-bond defects forming approximately linear H-bonded chains. This work unveils how doping the semiconductor surface affects the local electric field, determining the water splitting rate by influencing the H-bond topologies in the first water layers. This evidence opens new prospects for designing efficient photocatalysts for water splitting.

Enhanced As(OH)3 adsorption by anatase TiO2 through facet control and Fe, N dual doping: A DFT+D3 study

Anatase and rutile, two major polymorphs of TiO2, have been used widely for environmental remediation, while anatase is apparently less effective for As(III) pollution management and needs substantial improvement. Herein, DFT calculations show that (001) rather than (101) and (100) facets of anatase are highly selective for As(III) adsorption. Facet control plays critical role during As(III) adsorption over pristine anatase surfaces and remains for mono doping, while diminishes substantially for dual doping. The second doping profoundly enhances As(III) adsorption for anatase facets with low activities and proves to be a viable strategy. Distinct from pristine surfaces where bidentate binuclear complexes prevail, monodentate complexes may become preferred due to doping, especially for dual doping where Fe site promotes adsorption via electronic effects. Doping causes As(III) oxidation when As centers interact directly with surfaces, and for mono doping, electron back-donation re-reduces As(V) to As(IV), while As(IV) occurs less for dual doping due to electron reservoir of Fe site that inhibits As(V) re-reduction. Regulatory mechanisms of facet control and effects of mono and dual doping for As(III) adsorption are further unraveled at molecular level. Results provide significant new insights for As(III) pollution management, and conduce to design As(III) scavengers and manage As-associated pollution.

Defects induced SnOx-TiO2 nanocomposite thin films for improved visible light driven photocatalysis and photoelectrochemical applications

Advanced oxidative removal of organic pollutants from water bodies using nanoparticles of metal oxide photocatalysts is a concurrent hot topic. In the present study, SnOx-TiO2 heterogeneous nanocomposite thin film photocatalysts have been synthesized using SnO and TiO2 precursors by binder-free doctor blade technique. X-ray diffraction was used to confirm the presence of anatase TiO2 as a major phase at elevated temperatures. Raman spectra analysis confirmed phase transformation and defect induction. X-ray photoelectron spectroscopy was utilized to determine the purity and chemical condition of the synthesized thin films. The porous nature of the thin film surface was observed using field emission scanning electron microscopy. UV–Vis-NIR spectroscopy results showed a reduction of bandgap from 3 eV to 2.6 eV with enhanced light absorption. The superior oxygen evolution reaction, redox nature and charge carrier generation were demonstrated using photo-electrochemical techniques. Improved photoresponse of the photocatalysts was observed using chrono-amperometry technique. The superior visible light-driven photocatalytic activity of the samples was demonstrated utilizing cationic and anionic model pollutant dyes. The reusability of the catalyst is ensured through successive photodecomposition processes. These results show a facile fabrication of defects induced heterogenous nanocomposite photocatalyst thin films with improved visible light activity.

Influence of Eu, Gd and Lu dopants on the properties of TiO2: A first-principles study

The present study investigates the electronic structure, magnetic properties, and optical performance of anatase TiO2 and pure TiO2 systems with the addition of rare earth elements RE (Eu/Gd/Lu). Using first-principles calculations based on density-functional theory, we explore the effects of RE doping on these systems. Our calculations reveal that the structural stability remains intact under the conditions of RE doping. The total magnetic moment is determined to be 2.987 μB, 6.052 μB, and 0 μB for Eu, Gd, and Lu-doped TiO2 respectively. Furthermore, the band gap of Eu/Gd/Lu-doped TiO2 decreases significantly to 1.91eV, 1.8eV, and 1.88eV, leading to a lower energy requirement for electron transition, as compared to the initial energy band gap of 2.31eV. The incorporation of rare earth elements also results in an increase in the number of valence and conduction band energy levels near the Fermi level, primarily influenced by orbital electrons in the 4f layer of the rare earth elements. Additionally, our findings demonstrate a remarkable shift towards the red region in the absorption spectrum of the Eu-TiO2 system, accompanied by a relatively long photocarrier lifetime. These characteristics suggest its potential as a photocatalyst with enhanced performance. Overall, this research provides valuable theoretical insights towards the development and synthesis of novel TiO2 photocatalysts.