Tunable visible-light excitonic absorption and high photoconversion efficiency in two-dimensional group-VI monolayer materials

Min, Jingjing; Zhao, Chunxiang; Zeng, Zaiping; Jia, Yu; Du, Zuliang

doi:10.1103/physrevb.100.085402

Cited by 33 publications

(17 citation statements)

References 48 publications

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“…This type of solar cell requires a suitable direct bandgap of 1.2–1.6 eV, high carrier mobility, and environmental stability. It has been shown that 2D tellurene meets almost all the aforementioned criteria [ 208 ]. Recently, Wu et al [ 209 ] have theoretically demonstrated a high-efficiency heterojunction solar cell based on 2D Te and TMDCs.…”

Section: Applicationsmentioning

confidence: 99%

Two-Dimensional Tellurium: Progress, Challenges, and Prospects

Shi¹,

Cao²,

Khan³

et al. 2020

Nano-Micro Lett.

179

127

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HIGHLIGHTS • Physical Properties of the two-dimensional tellurium were discussed in detail, including electrical properties, optical properties, thermoelectric properties, and outstanding environmental stability. • Emerging applications based on atomically thin tellurene flakes were presented, such as photodetector, transistors, piezoelectric device, modulator, and energy harvesting devices. • The challenges encountered and prospects were presented.

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Section: Applicationsmentioning

confidence: 99%

Two-Dimensional Tellurium: Progress, Challenges, and Prospects

Shi¹,

Cao²,

Khan³

et al. 2020

Nano-Micro Lett.

179

127

View full text Add to dashboard Cite

show abstract

“…We study the excitonic optical properties of the monolayers by solving the Bethe-Salpeter equation over the G 0 W 0 eigenvalues (i.e., G 0 W 0 +BSE), which includes the electronelectron and electron-hole interactions. These interactions have been shown to play a vital role in the optical properties of 2D materials [40,41]. To clarify the role of the many-body effects, we also calculated the optical spectra of the monolayers using the random-phase approximation (RPA) over the G 0 W 0 (i.e., G 0 W 0 +RPA) and the DFT (i.e., DFT+RPA), where the aforementioned interactions are excluded.…”

Section: B Electronic and Optical Propertiesmentioning

confidence: 99%

Optoelectronic properties of the CuI, AgI and Janus Cu2BrI, and Ag2BrI monolayers by many-body perturbation theory

Mohebpour,

Mortazavi,

Zhuang

et al. 2022

Preprint

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In an outstanding experimental advance in the field of two-dimensional nanomaterials, cuprous iodide (CuI) and silver iodide (AgI) monolayers have been grown via a novel graphene encapsulation synthesis approach [Adv. Mater.2022, 34, 2106922]. Inspired by this accomplishment, we conduct first-principles calculations to investigate the elastic, phononic thermal transport, electronic, and optical properties of the native CuI and AgI and Janus Cu2BrI and Ag2BrI monolayers. Electronic and excitonic optical properties are elaborately studied using the many-body perturbation theory on the basis of GW approximation. Our results indicate that these novel systems are stable but with soft elastic modulus and ultralow lattice thermal conductivity. It is also shown that the studied monolayers are wide-gap semiconductors with exciton binding energies close to 1 eV. The effects of mechanical straining and electric field on the resulting electronic and optical properties are also analyzed. The presented first-principles results provide a deep understanding of the stability, phononic transport and tunable optoelectronic properties of the native CuI and AgI and Janus Cu2BrI and Ag2BrI monolayers, which can serve as a guide for the oncoming studies.

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“…[30][31][32][33][34][35][36] The discovery of tellurene and selenene extends the realm of elemental 2D materials to group-VIA. 37,38 Currently, in the road map of elemental 2D materials from group IIIA to VIA, only three elements that exist as solids under ambient conditions, i.e., thallium (Tl), sulfur (S), and polonium (Po), have not been discussed as to whether they can form stable 2D monolayers either experimentally or theoretically. Of course, Tl has the strongest metallic features among these elements, making it difficult to form stable 2D structures.…”

Section: Introductionmentioning

confidence: 99%

“…30–36 The discovery of tellurene and selenene extends the realm of elemental 2D materials to group-VIA. 37,38…”

Section: Introductionmentioning

confidence: 99%

Formation of stable polonium monolayers with tunable semiconducting properties driven by strong quantum size effects

Zhao

Cai

Liu

et al. 2022

Phys. Chem. Chem. Phys.

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Tunable visible-light excitonic absorption and high photoconversion efficiency in two-dimensional group-VI monolayer materials

Cited by 33 publications

References 48 publications

Two-Dimensional Tellurium: Progress, Challenges, and Prospects

Two-Dimensional Tellurium: Progress, Challenges, and Prospects

Optoelectronic properties of the CuI, AgI and Janus Cu2BrI, and Ag2BrI monolayers by many-body perturbation theory

Formation of stable polonium monolayers with tunable semiconducting properties driven by strong quantum size effects

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