A High-Performing Nanostructured Ir Doped-TiO2 for Efficient Photocatalytic Degradation of Gaseous Toluene

Ho, Van Thi Thanh; Chau, Dung Hung; Bui, Khang Quang; Nguyen, Ngan; Tran, Thi Kim Ngan; Bạch, Long Giang; Truong, Son Nguyen

doi:10.3390/inorganics10030029

Cited by 11 publications

(4 citation statements)

References 52 publications

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“…Titanium dioxide (TiO 2 ) was reported in 1972 as a prospective material for photocatalytic water splitting [1]. TiO 2 is one of the most studied and applied photocatalytic materials with low cost, nontoxicity, stability, and diversity of applications [2][3][4][5][6][7][8][9][10][11][12][13][14]. The fundamental mechanism of photocatalysis water splitting is dependent on the formation of photogenerated charge.…”

Section: Introductionmentioning

confidence: 99%

Influence of Au, Ag, and Cu Adatoms on Optical Properties of TiO2 (110) Surface: Predictions from RT-TDDFT Calculations

et al. 2022

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In this paper, real-time time-dependent density-functional theory (RT-TDDFT) calculations are performed to analyze the optical property and charge transitions of a single noble metal atom deposited on rutile TiO2 (110) surface. The model structures are built reflecting the equilibrium positions of deposited adatoms atop the TiO2 surface. The absorption spectra are calculated for all model structures under study. To provide deeper insight into photo-absorption processes, the transition contribution maps are computed for the states of deposited adatoms involved in transitions. Assuming the photon energy is enough to overcome the band gap of TiO2 (∼3 eV), the photogenerated electrons of TiO2 seem to be partly accumulated around deposited Au atoms. In contrast, this is rarely observed for deposited Ag and Cu atoms. Based on our calculations, we have identified the transition state mechanism that is important for the design strategy of future photocatalytic materials.

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Section: Introductionmentioning

confidence: 99%

Influence of Au, Ag, and Cu Adatoms on Optical Properties of TiO2 (110) Surface: Predictions from RT-TDDFT Calculations

et al. 2022

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“…In addition to the common transition metal elements used for doping, the doping of uranium (U) can also broaden the light response range of TiO 2 to visible light and significantly improve photocatalytic activity, but its radioactivity and high price limit further application. In addition, Ir-doped TiO 2 also showed excellent performance in the photocatalytic degradation of toluene [84].…”

Section: Transition Metal Dopingmentioning

confidence: 94%

Nano Metal-Containing Photocatalysts for the Removal of Volatile Organic Compounds: Doping, Performance, and Mechanisms

et al. 2022

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Volatile organic compounds (VOCs) in indoor air are considered a major threat to human health and environmental safety. The development of applicable technologies for the removal of VOCs is urgently needed. Nowadays, photocatalytic oxidation (PCO) based on metal-containing photocatalysts has been regarded as a promising method. However, unmodified photocatalysts are generally limited in applications because of the narrow light response range and high recombination rate of photo-generated carriers. As a result, nano metal-containing photocatalysts doped with elements or other materials have attracted much attention from researchers and has developed over the past few decades. In addition, different doping types cause different levels of catalyst performance, and the mechanism for performance improving is also different. However, there are few reviews focusing on this aspect, which is really important for catalyst design and application. This work aims to give a comprehensive overview of nano metal-containing photocatalysts with different doping types for the removal of VOCs in an indoor environment. First, the undoped photocatalysts and the basic mechanism of PCO is introduced. Then, the application of metal doping, non-metal doping, co-doping, and other material doping in synthetic metal-containing photocatalysts are discussed and compared, respectively, and the synthesis methods, removal efficiency, and mechanisms are further investigated. Finally, a development trend for using nano metal-containing photocatalysts for the removal of VOCs in the future is proposed. This work provides a meaningful reference for selecting effective strategies to develop novel photocatalysts for the removal of VOCs in the future.

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“…In recent decades, heterogeneous photocatalysis has emerged as a promising pathway for advancing green technologies, particularly in the domains of photocatalytic water splitting, the degradation of hazardous organic pollutants, and the manifestation of robust antibacterial properties [1,2]. The comprehensive investigation underscores the significance of TiO 2 -based materials, attributing their appeal to environmentally benign attributes such as non-toxicity, stability, cost-effectiveness, and wide-ranging applicability [3][4][5][6][7][8][9][10][11][12][13][14][15]. Central to photocatalysis are mechanisms involving the generation of photogenerated charges, encompassing processes such as photo-induced charge separation, bulk and surface charge recombination, and surface charge reactions [16].…”

Section: Introductionmentioning

confidence: 99%

Excited State Calculations of Cu-Doped Anatase TiO2 (101) and (001) Nanofilms

Lin,

Neilande,

Bandarenka

et al. 2024

Crystals

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Excited state calculations are performed to predict the electronic structure and optical absorption characteristics of Cu-doped anatase TiO2 nanofilms, focusing on their (101) and (001) surface terminations. Using model structures that successfully represent the equilibrium positions of deposited Cu atoms on the TiO2 surface, a comprehensive analysis of the absorption spectra for each considered model is made. The proposed modeling reveals phenomena when photogenerated electrons from TiO2 tend to accumulate in the vicinity of the deposited Cu atoms exposed to photon energies surpassing the band gap of TiO2 (approximately 3.2 eV). The crucial transition states that are essential for the creation of potential photocatalytic materials are identified through detailed calculations of the excited states. These insights hold substantial promise for the strategic design of advanced photocatalytic materials. The obtained results provide a base for subsequent analyses, facilitating the determination of heightened surface reactivity, photostimulated water splitting, and antibacterial properties.

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A High-Performing Nanostructured Ir Doped-TiO2 for Efficient Photocatalytic Degradation of Gaseous Toluene

Cited by 11 publications

References 52 publications

Influence of Au, Ag, and Cu Adatoms on Optical Properties of TiO2 (110) Surface: Predictions from RT-TDDFT Calculations

Influence of Au, Ag, and Cu Adatoms on Optical Properties of TiO2 (110) Surface: Predictions from RT-TDDFT Calculations

Nano Metal-Containing Photocatalysts for the Removal of Volatile Organic Compounds: Doping, Performance, and Mechanisms

Excited State Calculations of Cu-Doped Anatase TiO2 (101) and (001) Nanofilms

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