Resolving the intrinsic bandgap and edge effect of BiI3 film epitaxially grown on graphene

Mu, Dan; Zhou, Wei; Liu, Huan; Li, Jin; Yang, Ming; Zhuang, Jincheng; Du, Yi; Zhong, Jianxin

doi:10.1016/j.mtphys.2021.100454

Cited by 8 publications

(5 citation statements)

References 50 publications

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“…In bismuth-halide materials, there are several kinds of point defects, such as I-vacancy . In our Bi 4 I 4 samples, there are two types of point defects observed in STM images shown in Figure .…”

Section: Resultsmentioning

confidence: 68%

“…In bismuth-halide materials, there are several kinds of point defects, such as I-vacancy. 20 In our Bi 4 I 4 samples, there are two types of point defects observed in STM images shown in Figure 4. In order to figure out the structural origin of the defects, the high-resolution STM images taken under different sample biases have been scanned, where the lattice periodicity is invariable while the topology contrast has changed with the sample bias.…”

Section: ■ Results and Discussionmentioning

confidence: 79%

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Role of Hollow Defects in Lattice Phase Separation and Electronic Features in Quasi-One-Dimensional Bi₄I₄ Crystals

Liu

et al. 2023

J. Phys. Chem. C

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The defects play a crucial role in the determination of the crystal structure and electronic properties of the matter, evoking tremendous interest in the manipulation of defects and exploration of underlying mechanisms. In this work, we applied scanning tunneling microscopy to investigate the influence of the defects on the lattice structure and electronic properties of Bi 4 I 4 crystals. A lattice phase separation in the nanoscale is identified in the vicinity of hollow defects, which is absent in the sample without defects. The scanning tunneling spectroscopy reveals a bandgap around 0.1 eV at the terrace of (001) surface of Bi 4 I 4 , which is consistent with the angle-resolved photoemission spectroscopy results and first-principles calculations. The hollow defects modulate the local density of the state, leading to the edge state residing in the gap region. This edge state is regarded as responsible for the varied resistivity in different Bi 4 I 4 samples in previous reports as their densities of the hollow defects are diverse. Our results shed light on the argument over the lattice phase of Bi 4 I 4 at low temperatures as well as the factors determining the electronic properties.

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Section: Resultsmentioning

confidence: 68%

Section: ■ Results and Discussionmentioning

confidence: 79%

Role of Hollow Defects in Lattice Phase Separation and Electronic Features in Quasi-One-Dimensional Bi₄I₄ Crystals

Liu

et al. 2023

J. Phys. Chem. C

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“…1a and b, a 2 × 2 supercell of 2D BiI 3 is constructed, where the lattice constant is well consistent with the reported experimental data. 36 From the density of states (DOS) shown in Fig. 1c, it is found that the BiI 3 monolayer is semiconducting with a band gap of 2.12 eV, which is suitable for serving as the electrolyte separator.…”

Section: Pristine 2d Bii 3 As An Electrolyte Separator In Li-s Batteriesmentioning

confidence: 99%

“…34,35 Among them, layered BiI 3 has been synthesized by the molecular beam epitaxy technique, and 2D BiI 3 is also feasibly exfoliated based on its relatively small exfoliation energy compared to graphite. 34,36 Besides, monolayer BiI 3 with low polarity is expected to be dissoluble in traditional high-polarity electrolytes such as 1,3dioxolane (DOL), 1,2-dimethoxyethane (DME), etc. More signicantly, the natural atomic pores allow Li + to travel through monolayer BiI 3 on the timescale of nanoseconds, making BiI 3 promising 2D solid electrolyte for Li-ion batteries.…”

Section: Introductionmentioning

confidence: 99%

Theoretical probing of monolayer BiI₃ as an electrolyte separator and 3d-TM-doped BiI₃ as electrocatalysts toward high-performance lithium–sulfur batteries

Wu,

Zou,

Wang

et al. 2024

J. Mater. Chem. A

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“…This condition indicates that exfoliating BiI 3 monolayer from its bulk BiI 3 is experimentally feasible. Heidary et al [6] and Mu et al [7] experimentally obtained few-layered BiI 3 sheets via liquid phase exfoliation and molecular beam epitaxy method, respectively. With these encouraging studies, we believe that the experimental realization of high-quality monolayer BiI 3 will be achieved in the future.…”

Section: Introductionmentioning

confidence: 99%

Large exciton binding energy, superior mechanical flexibility, and ultra-low lattice thermal conductivity in BiI₃ monolayer

Xiao¹,

Xiao²,

Wang³

2021

J. Phys.: Condens. Matter

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The exciton binding energy, mechanical properties, and lattice thermal conductivity of monolayer BiI3 are investigated on the basis of first principle calculation. The excitation energy of monolayer BiI3 is predicted to be 1.02 eV, which is larger than that of bulk BiI3 (0.224 eV). This condition is due to the reduced dielectric screening in systems. The monolayer can withstand biaxial tensile strain up to 30% with ideal tensile strength of 2.60 GPa. Compared with graphene and MoS2, BiI3 possesses superior flexibility and ductility due to its large Poisson’s ratio and smaller Young’s modulus by two orders of magnitude. The predicted lattice thermal conductivity k L of monolayer BiI3 is 0.247 W m−1 K−1 at room temperature, which is lower than most reported values for other 2D materials. Such ultralow k L results from the scattering between acoustic and optical phonon modes, heavy atomic mass, and relatively weak chemical bond.

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Resolving the intrinsic bandgap and edge effect of BiI3 film epitaxially grown on graphene

Cited by 8 publications

References 50 publications

Role of Hollow Defects in Lattice Phase Separation and Electronic Features in Quasi-One-Dimensional Bi₄I₄ Crystals

Role of Hollow Defects in Lattice Phase Separation and Electronic Features in Quasi-One-Dimensional Bi₄I₄ Crystals

Theoretical probing of monolayer BiI₃ as an electrolyte separator and 3d-TM-doped BiI₃ as electrocatalysts toward high-performance lithium–sulfur batteries

Large exciton binding energy, superior mechanical flexibility, and ultra-low lattice thermal conductivity in BiI₃ monolayer

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Resolving the intrinsic bandgap and edge effect of BiI3 film epitaxially grown on graphene

Cited by 8 publications

References 50 publications

Role of Hollow Defects in Lattice Phase Separation and Electronic Features in Quasi-One-Dimensional Bi4I4 Crystals

Role of Hollow Defects in Lattice Phase Separation and Electronic Features in Quasi-One-Dimensional Bi4I4 Crystals

Theoretical probing of monolayer BiI3 as an electrolyte separator and 3d-TM-doped BiI3 as electrocatalysts toward high-performance lithium–sulfur batteries

Large exciton binding energy, superior mechanical flexibility, and ultra-low lattice thermal conductivity in BiI3 monolayer

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Role of Hollow Defects in Lattice Phase Separation and Electronic Features in Quasi-One-Dimensional Bi₄I₄ Crystals

Role of Hollow Defects in Lattice Phase Separation and Electronic Features in Quasi-One-Dimensional Bi₄I₄ Crystals

Theoretical probing of monolayer BiI₃ as an electrolyte separator and 3d-TM-doped BiI₃ as electrocatalysts toward high-performance lithium–sulfur batteries

Large exciton binding energy, superior mechanical flexibility, and ultra-low lattice thermal conductivity in BiI₃ monolayer