Theoretical insights into the origin of highly efficient photocatalyst NiO/NaTaO3 for overall water splitting

Wang, Miaomiao; Ma, Ye; Fo, Yumeng; Lyu, Yang; Zhou, Xin

doi:10.1016/j.ijhydene.2020.05.131

Cited by 14 publications

(8 citation statements)

References 89 publications

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“…These values can also be estimated by taking into account the Mulliken electronegativity (Table S3). Using FSP-made NiO, we found its band gap to be E g = 3.6 eV (Figure S11), in accordance with the literature. , Accordingly, NiO band edges are positioned to E VB = +2.64 eV and E VB = −0.96 eV. , NaTaO 3 is an n-type semiconductor and NiO is a p-type semiconductor. , As shown in Figure B, before contact, the Fermi level positionings are E F,NaTaO 3 > E F,NiO . The resulting work functions are 5.4 eV for NiO , and 4.5 eV for NaTaO 3 …”

Section: Discussionsupporting

confidence: 87%

“…Schematic diagram of the band edge positions vs NHE for (A) Ta 2 O 5 , NaTaO 3 , and NiO by DFT calculations. , (B) Band alignment in the {NaTaO 3 /NiO} heterojunction interface. (C) Implication of the type-II heterojunction with energy positioning for optimal water oxidation and hydrogen reduction.…”

Section: Resultsmentioning

confidence: 99%

“…Using FSP-made NiO, we found its band gap to be E g = 3.6 eV (Figure S11), in accordance with the literature. 49,74 Accordingly, NiO band edges are positioned to E VB = +2.64 eV and E VB = −0.96 eV. 49,74 NaTaO 3 is an n-type semiconductor 74 and NiO is a ptype semiconductor.…”

Section: Band Alignment and Bandmentioning

confidence: 99%

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Highly Crystalline Nanosized NaTaO₃/NiO Heterojunctions Engineered by Double-Nozzle Flame Spray Pyrolysis for Solar-to-H₂ Conversion: Toward Industrial-Scale Synthesis

Psathas

Moularas

Smykała

et al. 2023

ACS Appl. Nano Mater.

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Sodium tantalate, NaTaO 3 , nanomaterials are highly potent photocatalysts for hydrogen production from H 2 O. Proper interfacing of nano-NaTaO 3 with finely dispersed nano-NiO can produce an n−p type-II heterojunction {NaTaO 3 /NiO} with superior photocatalytic conversion efficiency. Making such nanomaterials widely applicable requires the establishment of an industrial-scale synthesis method, which would allow at least control of nanosize, composition, crystallinity, and interface. Herein, we have developed a scalable double-nozzle flame spray pyrolysis (DN-FSP) method, for one-step synthesis of highly crystalline {NaTaO 3 /NiO} heterojunctions, with specific emphasis on the NaTaO 3 nanosize and interfacing with ultrafine NiO nanoparticles. The FSP process allows the single-step synthesis of very small NaTaO 3 (<15 nm), with ultrafine NiO (<3 nm) finely dispersed on NaTaO 3 . Utilizing the versatility of FSP, we analyze the thermodynamics of nanosized NaTaO 3 perovskite gas-phase formation in flames. A library of large/small nano-NaTaO 3 and Ta 2 O 5 was synthesized, employing different NiO deposition methods. The double-nozzle FSP-made {12 nm NaTaO 3 /NiO} achieved benchmark photocatalytic H 2 production >10.000 μmol g −1 h −1 from a H 2 O/methanol mixture, without implementation of any noble metal as a cocatalyst. This corresponds to a solar-to-hydrogen (STH) conversion efficiency of 0.89%, which is well above the average. The photocatalytic mechanism underlying this performance is discussed based on in situ monitoring of the photoinduced holes and electrons using electron paramagnetic resonance spectroscopy. Specifically, the carrier kinetics indicates that the superior STH conversion achieved by {NaTaO 3 /NiO} is inherently related to the small NaTaO 3 nanosize that allows critical migration of photoinduced electron/hole pairs to the particle surface, outcompeting recombination.

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Section: Discussionsupporting

confidence: 87%

Section: Resultsmentioning

confidence: 99%

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Highly Crystalline Nanosized NaTaO₃/NiO Heterojunctions Engineered by Double-Nozzle Flame Spray Pyrolysis for Solar-to-H₂ Conversion: Toward Industrial-Scale Synthesis

Psathas

Moularas

Smykała

et al. 2023

ACS Appl. Nano Mater.

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“…[28][29][30][31] In terms of KTaO 3 photocatalytic system, NiO was found to be the most efficient cocatalyst, which is also widely utilized in other photocatalytic materials. [32][33][34][35][36][37][38] Kato and Kudo investigated the effect of loading cocatalysts on the photocatalytic performance of ATaO 3 (A = Li, Na and K). 39 It was found that the photocatalytic activity of KTaO 3 for overall water splitting was improved aer loading a NiO cocatalyst, which was attributed to the suitable conduction band level composed of Ta 5d orbitals and the delocalization resulted from the proper distortion of TaO 6 octahedra.…”

Section: Introductionmentioning

confidence: 99%

Structural, electronic, optical and photocatalytic properties of KTaO₃ with NiO cocatalyst modification

Cai

Zhou

2022

RSC Adv.

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“…Moreover, NaTaO 3 is a new type of wide bandgap semiconductor material, which has a bandgap of about 4.0 eV at room temperature [10]. To enhance the photocatalytic performance, metal or non-metal ions doped with NaTaO 3 (dopants: Sr 2+ [15,17], La 3+ [20,21], Ba 2+ [22], Ca 2+ [23], N or S [12,23]) or semiconductors loaded on NaTaO 3 , such In 2 S 3 [10], WO 3 [11], NiO [24], AgCl/Ag 2 O [25], g-C 3 N 4 [18,26], RuO 2 [27], and CdS [28] have been typically studied. These works were developed to improve the photocatalytic activity of NaTaO 3 -based materials.…”

Section: Introductionmentioning

confidence: 99%

Efficient Photocatalytic Degradation of RhB by Constructing Sn3O4 Nanoflakes on Sulfur-Doped NaTaO3 Nanocubes

2021

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Band structure engineering and heterojunction photocatalyst construction are efficient approaches to improve the separation of photo-induced electrons and holes, along with enhancing light response ability. By sulfur doping, sodium tantalite (NaTaO3) showed an improved photocatalytic property for the degradation of Rhodamine B (RhB). Sn3O4 nanoflakes were constructed on the surface of NaTaO3 nanocubes, forming a surface heterostructure via a simple hydrothermal process, initially. This heterostructure endows the photocatalyst with an enhanced charge separation rate, resulting in an improved photocatalytic degradation of RhB. Moreover, a possible mechanism over Sn3O4/NaTaO3 and the photodegradation pathway of RhB were proposed as the combined effect of photo-induced electrons and holes. This facile process for band structure engineering and heterostructure construction provides the possibility for the practical application of high-efficiency photocatalysts.

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Theoretical insights into the origin of highly efficient photocatalyst NiO/NaTaO3 for overall water splitting

Cited by 14 publications

References 89 publications

Highly Crystalline Nanosized NaTaO₃/NiO Heterojunctions Engineered by Double-Nozzle Flame Spray Pyrolysis for Solar-to-H₂ Conversion: Toward Industrial-Scale Synthesis

Highly Crystalline Nanosized NaTaO₃/NiO Heterojunctions Engineered by Double-Nozzle Flame Spray Pyrolysis for Solar-to-H₂ Conversion: Toward Industrial-Scale Synthesis

Structural, electronic, optical and photocatalytic properties of KTaO₃ with NiO cocatalyst modification

Efficient Photocatalytic Degradation of RhB by Constructing Sn3O4 Nanoflakes on Sulfur-Doped NaTaO3 Nanocubes

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Theoretical insights into the origin of highly efficient photocatalyst NiO/NaTaO3 for overall water splitting

Cited by 14 publications

References 89 publications

Highly Crystalline Nanosized NaTaO3/NiO Heterojunctions Engineered by Double-Nozzle Flame Spray Pyrolysis for Solar-to-H2 Conversion: Toward Industrial-Scale Synthesis

Highly Crystalline Nanosized NaTaO3/NiO Heterojunctions Engineered by Double-Nozzle Flame Spray Pyrolysis for Solar-to-H2 Conversion: Toward Industrial-Scale Synthesis

Structural, electronic, optical and photocatalytic properties of KTaO3 with NiO cocatalyst modification

Efficient Photocatalytic Degradation of RhB by Constructing Sn3O4 Nanoflakes on Sulfur-Doped NaTaO3 Nanocubes

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Highly Crystalline Nanosized NaTaO₃/NiO Heterojunctions Engineered by Double-Nozzle Flame Spray Pyrolysis for Solar-to-H₂ Conversion: Toward Industrial-Scale Synthesis

Highly Crystalline Nanosized NaTaO₃/NiO Heterojunctions Engineered by Double-Nozzle Flame Spray Pyrolysis for Solar-to-H₂ Conversion: Toward Industrial-Scale Synthesis

Structural, electronic, optical and photocatalytic properties of KTaO₃ with NiO cocatalyst modification