The rise of Nb-, Ta-, and Bi-based oxides/chalcogenides for photocatalytic applications

Park, Heesoo; R, Syam Kumar; Akande, Akinlolu; Sanvito, Stefano; El-Mellouhi, Fedwa

doi:10.1016/j.ijhydene.2021.05.145

Cited by 11 publications

(5 citation statements)

References 58 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…To determine whether doping affects the separation of electrons and holes, many works have focused on the mobility of photogenerated carriers. However, accurately calculating their mobility is challenging as it requires considering various scattering mechanisms, including intrinsic factors like electron-phonon scattering and extrinsic factors like impurity scattering [64]. Hence, estimating the effective mass of electrons and holes can offer valuable insights into the migration of photogenerated carriers.…”

Section: Effective Masses Of Charge Carriersmentioning

confidence: 99%

“…Additionally, when both rare earth and non-metallic elements are doped, the effective mass of electron-hole pairs increases, particularly in the case of S doping. This can be attributed to the dominance of the O/S state, which is susceptible to disorder at the chalcogen site at the top of the valence band [64]. Notably, when the concentration of rare earth elements is raised to 0.25, the effective mass of electrons and intermediate band holes decreases.…”

Section: Effective Masses Of Charge Carriersmentioning

confidence: 99%

See 1 more Smart Citation

Engineering the Electronic Structure towards Visible Lights Photocatalysis of CaTiO3 Perovskites by Cation (La/Ce)-Anion (N/S) Co-Doping: A First-Principles Study

Zhang,

Wang,

Jia

et al. 2023

Molecules

View full text Add to dashboard Cite

Cation-anion co-doping has proven to be an effective method of improving the photocatalytic performances of CaTiO3 perovskites. In this regard, (La/Ce-N/S) co-doped CaTiO3 models were investigated for the first time using first-principles calculations based on a supercell of 2 × 2 × 2 with La/Ce concentrations of 0.125, 0.25, and 0.375. The energy band structure, density of states, charge differential density, electron-hole effective masses, optical properties, and the water redox potential were calculated for various models. According to our results, (La-S)-doped CaTiO3 with a doping ratio of 0.25 (LCOS1-0.25) has superior photocatalytic hydrolysis properties due to the synergistic performances of its narrow band gap, fast carrier mobility, and superb ability to absorb visible light. Apart from the reduction of the band gap, the introduction of intermediate energy levels by La and Ce within the band gap also facilitates the transition of excited electrons from valence to the conduction band. Our calculations and findings provide theoretical insights and solid predictions for discovering CaTiO3 perovskites with excellent photocatalysis performances.

show abstract

Section: Effective Masses Of Charge Carriersmentioning

confidence: 99%

Section: Effective Masses Of Charge Carriersmentioning

confidence: 99%

Engineering the Electronic Structure towards Visible Lights Photocatalysis of CaTiO3 Perovskites by Cation (La/Ce)-Anion (N/S) Co-Doping: A First-Principles Study

Zhang,

Wang,

Jia

et al. 2023

Molecules

View full text Add to dashboard Cite

show abstract

“…They concluded that Bi-based chalcogenide materials, (KBiO 2 and KBiS 2 ) showed good performance over a wide range of pH conditions. In addition, the incorporation of chalcogenide narrows the bandgap and reduces the effective mass of the charge carriers when compared with their oxide counterparts [132]. Although these theoretical studies provide guidance toward the identification of materials required for efficient water splitting, it is necessary to test materials.…”

Section: Hydrogen Evolution Reactionsmentioning

confidence: 99%

Recent Progress and Approaches on Transition Metal Chalcogenides for Hydrogen Production

et al. 2021

View full text Add to dashboard Cite

Development of efficient and affordable photocatalysts is of great significance for energy production and environmental sustainability. Transition metal chalcogenides (TMCs) with particle sizes in the 1–100 nm have been used for various applications such as photocatalysis, photovoltaic, and energy storage due to their quantum confinement effect, optoelectronic behavior, and their stability. In particular, TMCs and their heterostructures have great potential as an emerging inexpensive and sustainable alternative to metal-based catalysts for hydrogen evolution. Herein, the methods used for the fabrication of TMCs, characterization techniques employed, and the different methods of solar hydrogen production by using different TMCs as photocatalyst are reviewed. This review provides a summary of TMC photocatalysts for hydrogen production.

show abstract

“…A-Bi-O (A = Na or K) is another important Bicontaining oxide system. 28,29 In previous studies, two different compositions of ABiO 3 and ABiO 2 have been synthesized. 28,30,31 Because of its adequate band-edge positions and superior chemical stability, the former has been widely studied for photocatalytic applications.…”

Section: Introductionmentioning

confidence: 99%

“…Therefore, it is highly desirable to explore the material properties of Bi(III) compounds in detail. A ‐Bi‐O ( A = Na or K) is another important Bi‐containing oxide system 28,29 . In previous studies, two different compositions of A BiO 3 and A BiO 2 have been synthesized 28,30,31 .…”

Section: Introductionmentioning

confidence: 99%

Bi(III)‐based oxide semiconductors with ambipolar doping: (Na, K)BiO₂

Jang,

Shim,

Son

et al. 2024

J Am Ceram Soc.

View full text Add to dashboard Cite

Bi(III)‐based oxides are emerging as important semiconductors for future electronic applications. Through hybrid density functional theory calculations and defect analysis, we demonstrate that ABi(III)O2 (A = Na or K) is a promising wide‐band‐gap bipolar semiconductor. Our calculations predict ABiO2 to have a large band gap of 1.97 eV for NaBiO2 and 2.77 eV for KBiO2. Unlike widely‐used oxide semiconductors such as In2O3 and ZnO, the spatially extended cation states (Bi 6s) of ABiO2 significantly contribute to the valence band maximum, enhancing p‐type dopability. We indeed show that potential acceptors, such as SrBi, produce shallow levels. In addition, n‐type doping is found to be possible through the extrinsic doping of heterovalent elements such as Te and F. The band‐structure analysis reveals that ABiO2 has small effective masses for electrons and holes (< 1m0 where m0 is the electron rest mass), indicating favorable electron and hole transport properties.

show abstract

The rise of Nb-, Ta-, and Bi-based oxides/chalcogenides for photocatalytic applications

Cited by 11 publications

References 58 publications

Engineering the Electronic Structure towards Visible Lights Photocatalysis of CaTiO3 Perovskites by Cation (La/Ce)-Anion (N/S) Co-Doping: A First-Principles Study

Engineering the Electronic Structure towards Visible Lights Photocatalysis of CaTiO3 Perovskites by Cation (La/Ce)-Anion (N/S) Co-Doping: A First-Principles Study

Recent Progress and Approaches on Transition Metal Chalcogenides for Hydrogen Production

Bi(III)‐based oxide semiconductors with ambipolar doping: (Na, K)BiO₂

Contact Info

Product

Resources

About

The rise of Nb-, Ta-, and Bi-based oxides/chalcogenides for photocatalytic applications

Cited by 11 publications

References 58 publications

Engineering the Electronic Structure towards Visible Lights Photocatalysis of CaTiO3 Perovskites by Cation (La/Ce)-Anion (N/S) Co-Doping: A First-Principles Study

Engineering the Electronic Structure towards Visible Lights Photocatalysis of CaTiO3 Perovskites by Cation (La/Ce)-Anion (N/S) Co-Doping: A First-Principles Study

Recent Progress and Approaches on Transition Metal Chalcogenides for Hydrogen Production

Bi(III)‐based oxide semiconductors with ambipolar doping: (Na, K)BiO2

Contact Info

Product

Resources

About

Bi(III)‐based oxide semiconductors with ambipolar doping: (Na, K)BiO₂