Computational assisted tuning of Co-doped TiO2 nanoparticles for ammonia detection at room temperatures

Chen, Yifan; Wu, Jerry J.; Xu, Zuo-Feng; Shen, Wenhao; Wu, Ying; Corriou, Jean‐Pierre

doi:10.1016/j.apsusc.2022.154214

Cited by 22 publications

(5 citation statements)

References 49 publications

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“…The structure simulation and mechanism analysis have demonstrated the co-doped TiO 2 gas sensor's improved characteristics and excellent gas-sensing capabilities at ambient temperature [131]. An ab initio study of the systems Ti 1−x R x O 2 (R = Mn, Fe, Co, Ni, Cu for various concentrations of substitutional impurities) in the rutile structure revealed that magnetic moments are present in Fe, Co, and Mn but not in Cu or Ni [132,133]. These calculations reveal an essential fact: doping reduces the energy required for vacancies to occur, resulting in doped systems having more vacancies than undoped systems.…”

Section: Quantum Computational Verification Of Experimental Doping Of...mentioning

confidence: 99%

Experimental Studies on TiO2 NT with Metal Dopants through Co-Precipitation, Sol–Gel, Hydrothermal Scheme and Corresponding Computational Molecular Evaluations

2023

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In the last decade, TiO2 nanotubes have attracted the attention of the scientific community and industry due to their exceptional photocatalytic properties, opening a wide range of additional applications in the fields of renewable energy, sensors, supercapacitors, and the pharmaceutical industry. However, their use is limited because their band gap is tied to the visible light spectrum. Therefore, it is essential to dope them with metals to extend their physicochemical advantages. In this review, we provide a brief overview of the preparation of metal-doped TiO2 nanotubes. We address hydrothermal and alteration methods that have been used to study the effects of different metal dopants on the structural, morphological, and optoelectrical properties of anatase and rutile nanotubes. The progress of DFT studies on the metal doping of TiO2 nanoparticles is discussed. In addition, the traditional models and their confirmation of the results of the experiment with TiO2 nanotubes are reviewed, as well as the use of TNT in various applications and the future prospects for its development in other fields. We focus on the comprehensive analysis and practical significance of the development of TiO2 hybrid materials and the need for a better understanding of the structural–chemical properties of anatase TiO2 nanotubes with metal doping for ion storage devices such as batteries.

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Section: Quantum Computational Verification Of Experimental Doping Of...mentioning

confidence: 99%

Experimental Studies on TiO2 NT with Metal Dopants through Co-Precipitation, Sol–Gel, Hydrothermal Scheme and Corresponding Computational Molecular Evaluations

2023

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“…The doping of TiO 2 nanoparticles with 20% Co 2+ in cobalt nitrate resulted in a 7-fold increase in the response to 50 ppm NH 3 compared to pure TiO 2 . The Co-doping introduced defects in the TiO 2 lattice, reducing the band gap by 72% to 0.72 eV, thereby providing more active and reactive sites for TiO 2 and leading to improved gas-sensing performance at room temperature [110]. Furthermore, doping TiO 2 NPs with 15% Co 3 O 4 (0.85 TiO 2 -0.15 Co 3 O 4 ) resulted in a six-fold increase in the response to acetone (50 ppm) when operating at room temperature, and a three-fold increase under UV light exposure (360 nm).…”

Section: Dopingmentioning

confidence: 99%

Recent Advancements in TiO2 Nanostructures: Sustainable Synthesis and Gas Sensing

2023

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The search for sustainable technology-driven advancements in material synthesis is a new norm, which ensures a low impact on the environment, production cost, and workers’ health. In this context, non-toxic, non-hazardous, and low-cost materials and their synthesis methods are integrated to compete with existing physical and chemical methods. From this perspective, titanium oxide (TiO2) is one of the fascinating materials because of its non-toxicity, biocompatibility, and potential of growing by sustainable methods. Accordingly, TiO2 is extensively used in gas-sensing devices. Yet, many TiO2 nanostructures are still synthesized with a lack of mindfulness of environmental impact and sustainable methods, which results in a serious burden on practical commercialization. This review provides a general outline of the advantages and disadvantages of conventional and sustainable methods of TiO2 preparation. Additionally, a detailed discussion on sustainable growth methods for green synthesis is included. Furthermore, gas-sensing applications and approaches to improve the key functionality of sensors, including response time, recovery time, repeatability, and stability, are discussed in detail in the latter parts of the review. At the end, a concluding discussion is included to provide guidelines for the selection of sustainable synthesis methods and techniques to improve the gas-sensing properties of TiO2.

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“…The high selectivity of NiTiO 3 to NH 3 might be due to the existence of a small amount of TiO 2 in the material. Furthermore, in many experiments, besides the higher affinity of NH 3 to TiO 2 , the presence of TiO 2 might be beneficial to improve the sensitivity of the gas sensor [20].…”

Section: Gas Sensitivity Analysismentioning

confidence: 99%

Synthesis and gas sensing properties of amorphous NiTiO3

Tursun¹,

Wu²,

Sun³

2023

ScienceAsia

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Amorphous NiTiO 3 nanoparticles were synthesized using the hydrothermal method. The morphology, structure, and gas sensing performance of synthesized NiTiO 3 samples were investigated. The analysis's results showed that the synthesized NiTiO 3 has an amorphous phase. The amorphous NiTiO 3 has no gas sensitivity to ethanol (C 2 H 5 OH), benzoic acid (C 3 H 6 COOH), or acetone (C 3 H 6 O); but it has gas sensitivity to ammonia (NH 3 ), phenol (C 6 H 5 OH), formaldehyde (HCHO), water vapor (RH85%), and hydrogen peroxide (H 2 O 2 ). Due to the anisotropy of the sample phase, NiTiO 3 shows higher sensitivity and faster response for multiple target gas analytes. These results show that amorphous NiTiO 3 can be used to develop gas sensors.

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Computational assisted tuning of Co-doped TiO2 nanoparticles for ammonia detection at room temperatures

Cited by 22 publications

References 49 publications

Experimental Studies on TiO2 NT with Metal Dopants through Co-Precipitation, Sol–Gel, Hydrothermal Scheme and Corresponding Computational Molecular Evaluations

Experimental Studies on TiO2 NT with Metal Dopants through Co-Precipitation, Sol–Gel, Hydrothermal Scheme and Corresponding Computational Molecular Evaluations

Recent Advancements in TiO2 Nanostructures: Sustainable Synthesis and Gas Sensing

Synthesis and gas sensing properties of amorphous NiTiO3

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