Band structure engineering in a MoS2/PbI2 van der Waals heterostructure via an external electric field
Literature Information
Yaqiang Ma, Xu Zhao, Tianxing Wang, Wei Li, Shanshan Chang, Yi Li, Mingyu Zhao
Band structure engineering in a MoS2/PbI2 van der Waals (vdW) heterostructure under an external electric field (Efield) is investigated using density functional theory (DFT). It is demonstrated that the MoS2/PbI2 vdW heterostructure has a type-II heterojunction with a direct bandgap, and thus the lowest energy electron–hole pairs are spatially separated. Meanwhile, the band structure could be effectively modulated under an Efield and the bandgap shows linear variations with the Efield, indicating a giant Stark effect. This gets further support from the band edges of MoS2 and PbI2 in the heterostructure. Moreover, the MoS2/PbI2 vdW heterostructure experiences transitions from type-II to type-I and then to type-II under various Efields. Our calculated results pave the way for experimental research and provide a new perspective for the application of the vdW heterostructure in electronic and optoelectronic devices.
Related Literature
The effect of dimensionality of nanostructured carbon on the architecture of organic–inorganic hybrid materials
R. D. K. Misra, D. Depan, J. Shah
DOI: 10.1039/C3CP51236C
Separation of cobalt and nickel by solvent extraction with two mutually immiscible ionic liquids
Sil Wellens, Ben Thijs, Claudia Möller, Koen Binnemans
DOI: 10.1039/C3CP50819F
Monolayer patterning using ketone dipoles
Min Kyoung Kim, Yi Xue, Tereza Pašková, Matthew B. Zimmt
DOI: 10.1039/C3CP50808K
The conversion of protonated cytosine-SO3− to uracil-SO3−: Insights into the novel induced hydrolytic deamination through bisulfite catalysis
Wenliang Wang, Daodao Hu, Jian Lü
DOI: 10.1039/C3CP51275D
STM tip-assisted single molecule chemistry
Aidi Zhao, Shijing Tan, Bin Li, Bing Wang, Jinlong Yang, J. G. Hou
DOI: 10.1039/C3CP51446C
Effects of the morphology of nanostructured ZnO and interface modification on the device configuration and charge transport of ZnO/polymer hybrid solar cells
Pipat Ruankham, Susumu Yoshikawa, Takashi Sagawa
DOI: 10.1039/C3CP50266J
Charge transport study of high mobility polymer thin-film transistors based on thiophene substituted diketopyrrolopyrrolecopolymers
Tae-Jun Ha, Prashant Sonar, Ananth Dodabalapur
DOI: 10.1039/C3CP51478A
Simple and efficient synthesis of cyclic carbonates using quaternized glycine as a green catalyst
Jose Tharun, George Mathai, Roshith Roshan, Amal Cherian Kathalikkattil, Kim Bomi, Dae-Won Park
DOI: 10.1039/C3CP51158H
Deuterium isotope effects in the polyatomic reaction of O(1D2) + CH4 → OH + CH3
Yoshihiro Ogi, Hiroshi Kohguchi
DOI: 10.1039/C3CP51680F
Changing the shape of molecular ions: photoisomerization action spectroscopy in the gas phase
B. D. Adamson, N. J. A. Coughlan, R. E. Continetti, E. J. Bieske
DOI: 10.1039/C3CP51393A
You might also like
How is Ethyl 4-chlorothieno[2,3-b]pyridine-5-carboxylate (CAS: 59713-58-5) typically synthesized?
Ethyl 4-chlorothieno[2,3-b]pyridine-5-carboxylate (CAS: 59713-58-5) can be synth...
What regulatory guidelines apply to 5-Methyl-1H-indole-3-carbaldehyde (CAS: 52562-50-2)?
5-Methyl-1H-indole-3-carbaldehyde (CAS: 52562-50-2) is subject to various regula...
What are the physical and chemical properties of (1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)boronic acid (CAS: 223418-73-3)?
(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)boronic acid is a white...
How should waste containing Sulfocostunolide A (CAS: 1016983-51-9) be handled?
Waste containing Sulfocostunolide A (CAS: 1016983-51-9) should be handled with c...
What precautions should be taken when handling Murraxocin (CAS: 88478-44-8)?
When handling Murraxocin (CAS: 88478-44-8), ensure proper personal protective eq...
What are the physical and chemical properties of Formvar (CAS: 63148-64-1)?
Formvar (CAS: 63148-64-1) is an alkyd resin characterized by a high molecular we...
Is (S)-4-benzyl-2-((benzyloxy)methyl)morpholine (CAS: 205242-66-6) safe?
(S)-4-benzyl-2-((benzyloxy)methyl)morpholine is generally safe when handled with...
What industries use Methyl 1-(5-bromo-2-pyrimidinyl)cyclopropanecarboxylate (CAS: 1447607-69-3)?
Methyl 1-(5-bromo-2-pyrimidinyl)cyclopropanecarboxylate (CAS: 1447607-69-3) is p...
Is 2-Methyl-1-phenyl-1-propanamine hydrochloride (CAS: 24290-47-9) safe?
2-Methyl-1-phenyl-1-propanamine hydrochloride (CAS: 24290-47-9) is generally con...
How is 3-(4-Bromophenyl)-2-methylpropanoic acid (CAS: 66735-01-1) typically synthesized?
3-(4-Bromophenyl)-2-methylpropanoic acid is synthesized through a multi-step pro...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.













![9,9'-Spirobi[fluoren]-2-amine structure 9,9'-Spirobi[fluoren]-2-amine structure](https://static.chemtradehub.com/structs/118/118951-68-1-0d14.webp)
