Mixed excitonic nature in water-oxidized 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>BiVO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>
 surfaces with defects

Steinitz-Eliyahu, Rachel; Hernangómez‐Pérez, Daniel; Hegner, Franziska Simone; Nikačević, Pavle; López, Núria; Refaely-Abramson, Sivan

doi:10.1103/physrevmaterials.6.065402

Cited by 6 publications

(7 citation statements)

References 55 publications

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“…Additionally, the nature of surface polarons in water adsorption and reactivity on BiVO 4 has been elucidated in recent studies. The work of Wang et al 17 demonstrated how surface polarons facilitate water splitting, while that of Steinitz-Eliyahu et al 18 explored the interplay between surface polarons and defect states. These insights into the role of surface polarons further enrich our understanding of defect-mediated processes on BiVO 4 surfaces, providing a broader context for our investigation into the influence of surface oxygen vacancies on the oxygen evolution reaction in BiVO 4 .…”

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confidence: 99%

“…This opens up the possibility of tailoring photoanode properties through Fermi level engineering by carefully controlling defect and dopant concentrations as has previously been done for the NV center in diamond and BaZrO 3 multilayer structures. 41,42 The intertwining roles of oxygen vacancies and surface polarons, as laid out in our study and those by Wang et al 17 and Steinitz-Eliyahu et al, 18 open avenues for a more holistic approach in defect engineering. The collective understanding allows for a nuanced exploration of defect-controlled electrochemical properties, fostering the advancement of photoanode materials for efficient solar water splitting.…”

Section: +mentioning

confidence: 99%

“…The intertwining roles of oxygen vacancies and surface polarons, as laid out in our study and those by Wang et al and Steinitz-Eliyahu et al, open avenues for a more holistic approach in defect engineering. The collective understanding allows for a nuanced exploration of defect-controlled electrochemical properties, fostering the advancement of photoanode materials for efficient solar water splitting.…”

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confidence: 99%

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Spontaneous Oxygen Vacancy Ionization Enhances Water Oxidation on BiVO₄

Österbacka,

Ouhbi,

Ambrosio

et al. 2023

ACS Energy Lett.

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confidence: 99%

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confidence: 99%

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confidence: 99%

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Spontaneous Oxygen Vacancy Ionization Enhances Water Oxidation on BiVO₄

Österbacka,

Ouhbi,

Ambrosio

et al. 2023

ACS Energy Lett.

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“…The effect of O vacancy at the subsurface on the charge accumulation in the OER process was investigated. As a result, the O vacancy does not affect the photon acquisition or energy transportation in the crystal [133].…”

Section: Bivomentioning

confidence: 99%

Molecular Mechanisms of Oxygen Evolution Reactions for Artificial Photosynthesis

Nosaka

2023

Oxygen

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Addressing the global environmental problem of water splitting to produce hydrogen fuel by solar energy is receiving so much attention. In water splitting, the essential problem to solve is the development of efficient catalysts for oxygen production. In this paper, having the prospect for a practical application of photocatalysts to artificial photosynthesis, molecular mechanisms in the current literature are briefly reviewed. At first, recent progress in the function of the Mn cluster at the natural photosystem II is briefly described. The kinds of devices in which oxygen evolution reaction (OER) catalysts are used were designated: water electrolyzers, photoelectrodes, and photocatalysts. Some methods for analyzing molecular mechanisms in OER catalysis, emphasized by the FTIR method, are shown briefly. After describing common OER mechanisms, the molecular mechanisms are discussed for TiO2 and BiVO4 photoelectrodes with our novel data, followed by presenting OER co-catalysts of IrO2, RuO2, NiO2, and other metal oxides. Recent reports describing OER catalysts of perovskites, layered double hydroxides (LDH), metal–organic frameworks (MOF), single-atom catalysts, as well as metal complexes are reviewed. Finally, by comparing with natural photosystem, the required factors to improve the activity of the catalysts for artificial photosynthesis will be discussed.

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“…To further understand this effect, we show in Figure , bottom panel, the contribution of each band to the exciton (similarly to our previous analysis of exciton state mixing in defected systems ,, ). Each excitonic state, |Ψ S ⟩, defined by its wave function amplitude A S vc k and energy Ω S , is represented by a column of dots whose area is proportional to ∑ v k | A vc k S | 2 , for each electron band ( c ), and ∑ c k | A vc k S | 2 , for each hole band ( v ).…”

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confidence: 91%

Reduced Absorption Due to Defect-Localized Interlayer Excitons in Transition-Metal Dichalcogenide–Graphene Heterostructures

2023

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Associating atomic vacancies to excited-state transport phenomena in two-dimensional semiconductors demands a detailed understanding of the exciton transitions involved. We study the effect of such defects on the electronic and optical properties of WS 2 −graphene and MoS 2 −graphene van der Waals heterobilayers, employing many-body perturbation theory. We find that chalcogen defects and the graphene interface radically alter the optical properties of the transition-metal dichalcogenide in the heterobilayer, due to a combination of dielectric screening and the manybody nature of defect-induced intralayer and interlayer optical transitions. By analyzing the intrinsic radiative rates of the subgap excitonic features, we show that while defects introduce low-lying optical transitions, resulting in excitons with non-negligible oscillator strength, they decrease the optical response of the pristine-like transition-metal dichalcogenide intralayer excitons. Our findings relate excitonic features with interface design for defect engineering in photovoltaic and transport applications.

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Mixed excitonic nature in water-oxidized BiVO4 surfaces with defects

Cited by 6 publications

References 55 publications

Spontaneous Oxygen Vacancy Ionization Enhances Water Oxidation on BiVO₄

Spontaneous Oxygen Vacancy Ionization Enhances Water Oxidation on BiVO₄

Molecular Mechanisms of Oxygen Evolution Reactions for Artificial Photosynthesis

Reduced Absorption Due to Defect-Localized Interlayer Excitons in Transition-Metal Dichalcogenide–Graphene Heterostructures

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Mixed excitonic nature in water-oxidized BiVO4 surfaces with defects

Cited by 6 publications

References 55 publications

Spontaneous Oxygen Vacancy Ionization Enhances Water Oxidation on BiVO4

Spontaneous Oxygen Vacancy Ionization Enhances Water Oxidation on BiVO4

Molecular Mechanisms of Oxygen Evolution Reactions for Artificial Photosynthesis

Reduced Absorption Due to Defect-Localized Interlayer Excitons in Transition-Metal Dichalcogenide–Graphene Heterostructures

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Spontaneous Oxygen Vacancy Ionization Enhances Water Oxidation on BiVO₄

Spontaneous Oxygen Vacancy Ionization Enhances Water Oxidation on BiVO₄