Band alignment type I, II transformations in Hf2CO2/MoS2 heterostructures using biaxial strain, external electric field, and interlayer coupling: a first principal investigation

Literature Information

Publication Date 2023-11-10
DOI 10.1039/D3CP04546C
Impact Factor 3.676
Authors

Ekaterina V. Sukhanova, Zakhar I. Popov


View Original

Abstract

The transition to neuromorphic devices is relevant to the development of materials capable of providing electronic switching in response to external stimuli. In the present work, the Hf2CO2/MoS2 heterostructure under biaxial strain, interlayer coupling, and an electric field was investigated by first-principles calculations based on density functional theory. We have shown that the influence of lateral deformation as well as the perpendicular external electric field is more significant compared to the influence of external vertical pressure on changes in the heterojunction type of heterostructure. The lateral stretching leads to a type-I and lateral compression results in a type-II heterojunction, and an external electric field also has an effect on heterojunction type. The combination of these impacts can tune the Hf2CO2/MoS2 heterostructure. The current work suggests a compelling way to make type-I and type-II heterostructure types consisting of Hf2CO2 and MoS2 monolayers for new nanodevices in fields like photonics, electronics, optoelectronic and neuromorphic applications.

Related Literature

Contents list

Front/Back Matter

DOI: 10.1039/C7CP90060K

Exploration of the forbidden regions of the Ramachandran plot (ϕ-ψ) with QTAIM

Roya Momen, Alireza Azizi, Lingling Wang, Yang Ping, Tianlv Xu, Steven R. Kirk, Wenxuan Li, Sergei Manzhos, Samantha Jenkins

2017-09-11 Paper

DOI: 10.1039/C7CP05124G

Examination of molecular packing in orthogonal smectic liquid crystal phases: a guide for molecular design of functional smectic phases

Yasuhisa Yamamura, Takahito Murakoshi, Mafumi Hishida, Kazuya Saito

2017-09-05 Paper

DOI: 10.1039/C7CP04744D

Bubble nucleation and growth in nanochannels

Bo Bao, Seyed Hadi Zandavi, Huawei Li, Junjie Zhong, Arnav Jatukaran, Farshid Mostowfi, David Sinton

2017-02-28 Paper

DOI: 10.1039/C7CP00550D

Changing the dehydrogenation pathway of LiBH4–MgH2via nanosized lithiated TiO2

J. A. Puszkiel, M. V. Castro Riglos, F. Karimi, A. Santoru, C. Pistidda, T. Klassen, J. M. Bellosta von Colbe, M. Dornheim

2017-01-18 Communication

DOI: 10.1039/C6CP08278E

Theoretical and experimental examination of SFG polarization analysis at acetonitrile–water solution surfaces

Kengo Saito, Qiling Peng, Lin Qiao, Tatsuya Joutsuka, Tatsuya Ishiyama

2017-03-03 Paper

DOI: 10.1039/C6CP08856B

The aromaticity of dicupra[10]annulenes

Rafael Grande-Aztatzi, Jose M. Mercero, Jesus M. Ugalde

2017-03-17 Paper

DOI: 10.1039/C7CP00092H

You might also like

Compound Q&A

How should 2-Methylbenzene-1,4-diamine dihydrochloride (CAS: 615-45-2) be stored?

2-Methylbenzene-1,4-diamine dihydrochloride (CAS: 615-45-2) should be stored in ...

615-45-22-Methylbenzene-1,4-...
Compound Q&A

Is (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide (CAS: 132747-20-7) safe?

(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide is generally considered sa...

132747-20-7(1S,4S)-2,5-Diazabic...
Compound Q&A

What industries use (6-Chloropyridazin-3-YL)methanamine (CAS: 871826-15-2)?

(6-Chloropyridazin-3-YL)methanamine finds applications in the pharmaceutical ind...

871826-15-2(6-Chloropyridazin-3...
Compound Q&A

What are the main uses of 2-Fluoro-3-methylphenol (CAS: 77772-72-6)?

2-Fluoro-3-methylphenol is primarily used in the synthesis of pharmaceuticals, p...

77772-72-62-Fluoro-3-methylphe...
Compound Q&A

What precautions should be taken when handling 3-Methoxy-4-nitrobenzonitrile (CAS: 177476-75-4)?

When handling 3-Methoxy-4-nitrobenzonitrile, it is important to wear appropriate...

177476-75-43-Methoxy-4-nitroben...
Compound Q&A

What precautions should be taken when handling 1,3-Oxazolo[4,5-b]pyridine-2(3H)-thione (CAS: 211949-57-4)?

When handling 1,3-Oxazolo[4,5-b]pyridine-2(3H)-thione (CAS: 211949-57-4), it is ...

211949-57-4[1,3]Oxazolo[4,5-b]p...
Compound Q&A

What regulatory guidelines apply to 4-Ethynylbenzamide (CAS: 90347-86-7)?

4-Ethynylbenzamide (CAS: 90347-86-7) falls under various regulatory guidelines i...

90347-86-74-Ethynylbenzamide
Compound Q&A

What are the main uses of 3-(2-Ethylphenyl)-2-thioxo-4-imidazolidinone (CAS: 186822-57-1)?

3-(2-Ethylphenyl)-2-thioxo-4-imidazolidinone is primarily used as an intermediat...

186822-57-13-(2-Ethylphenyl)-2-...
Compound Q&A

What is (2-Fluoro-6-methoxyphenyl)acetic acid (CAS: 500912-19-6)?

(2-Fluoro-6-methoxyphenyl)acetic acid, also known as 4-fluoro-3-methoxybenzoic a...

500912-19-6(2-Fluoro-6-methoxyp...
Compound Q&A

What is the market or research trend for 2-[4-(Hydroxymethyl)phenoxy]ethanol (CAS: 102196-18-9)?

Market trends for 2-[4-(Hydroxymethyl)phenoxy]ethanol (CAS: 102196-18-9) indicat...

102196-18-92-[4-(Hydroxymethyl)...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

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.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.