Robust band gap of TiS3 nanofilms

Literature Information

Publication Date 2016-03-14
DOI 10.1039/C6CP01125J
Impact Factor 3.676
Authors

Jun Kang, Lin-Wang Wang


View Original

Abstract

First-principles calculations have been performed on the band structure of mono- and few-layer TiS3 nanofilms. It is found that the band gap character of the TiS3 films is quite robust, almost independent of layer thickness, vertical strain and stacking order, which is in sharp contrast to most other two-dimensional materials, such as MoS2. The robustness of the band gap originates from the location of the CBM and VBM states, which are at the center atoms of TiS3, and are thus unaffected by the layer–layer coupling. Such a property of TiS3 nanofilms promises good application potential in nanoelectronics and optoelectronics, and also makes TiS3 a good platform to study the electronic properties of a material in the two-dimensional limit.

Related Literature

Selective azide–alkyne cycloaddition reactions of azidoalkylated calixarenes

Alexander Gorbunov, Julia Kuznetsova, Ilya Deltsov, Anastasia Molokanova, Dmitry Cheshkov, Stanislav Bezzubov, Vladimir Kovalev, Ivan Vatsouro

2020-07-15 Research Article

DOI: 10.1039/D0QO00650E

Front cover

Cover

DOI: 10.1039/D0QO90065F

Inside front cover

Cover

DOI: 10.1039/D0QO90061C

Asymmetric total synthesis of cryptoconcatone I

Ranjan Kumar Acharyya, Pratik Pal, Shrestha Chatterjee, Samik Nanda

2019-03-12 Paper

DOI: 10.1039/C9OB00399A

Pictet–Spengler reaction based on in situ generated α-amino iminium ions through the Heyns rearrangement

Guo-bin Yang, Yong-po Zhang, Dong-dong Guo, Jin-zhong Zhao, Guang-xun Li, Zhuo Tang

2020-09-18 Research Article

DOI: 10.1039/D0QO00722F

Recent advances in organocatalytic asymmetric oxa-Michael addition triggered cascade reactions

Yu Wang, Da-Ming Du

2020-08-14 Review Article

DOI: 10.1039/D0QO00631A

Recent advances in the synthesis of bridgehead (or ring-junction) nitrogen heterocycles via transition metal-catalyzed C–H bond activation and functionalization

Biao Nie, Wanqing Wu, Yingjun Zhang, Huanfeng Jiang, Ji Zhang

2020-08-05 Review Article

DOI: 10.1039/D0QO00510J

Rhodium(iii)-catalyzed carboxylate-directed ortho-selective thiolation of benzoic acids

Dongjie Wang, Kehan Zhou, Jingyu Zhang, Yingsheng Zhao

2020-09-18 Research Article

DOI: 10.1039/D0QO00940G

A vinylogous Michael reaction of 2-furanone dimers with α,β-unsaturated nitroolefins for constructing chiral γ,γ-disubstituted butenolides

Cairong Zhang, Yongyi Chen, Aiqin Liu, Xinyu Wang, Chuna Yan, Xuechao Liu, Xiaoru Zhang, Ying Li, Ye Yuan, Zemei Ge, Jingxiang Pang, Yongshuai Chai, Xin Wang

2020-05-09 Research Article

DOI: 10.1039/D0QO00376J

Novel 3,4-seco-3,19-dinorspongian and 5,17-epoxy-19-norspongian diterpenes from the marine sponge Spongia sp.

Xiao-Jian Liao, Bing-Xin Zhao, Shi-Hai Xu

2020-09-17 Research Article

DOI: 10.1039/D0QO00977F

You might also like

Compound Q&A

Is 2-(2-chloroacetamido)-3-phenylpropanoic acid (CAS: 7765-11-9) safe?

2-(2-Chloroacetamido)-3-phenylpropanoic acid (CAS: 7765-11-9) is generally consi...

7765-11-92-(2-chloroacetamido...
Compound Q&A

Is 2-(Benzyloxy)-5-bromobenzoic acid (CAS: 62176-31-2) safe?

2-(Benzyloxy)-5-bromobenzoic acid can be handled safely if appropriate precautio...

62176-31-22-(Benzyloxy)-5-brom...
Compound Q&A

What is (4-Methyl-1,2,5-oxadiazol-3-yl)methanamine hydrochloride (CAS: 1159825-48-5)?

(4-Methyl-1,2,5-oxadiazol-3-yl)methanamine hydrochloride is a chemical compound ...

1159825-48-5(4-Methyl-1,2,5-oxad...
Compound Q&A

What is 2-(5-Hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 917985-54-7)?

2-(5-Hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 917985-54...

917985-54-72-(5-Hexylthiophen-2...
Compound Q&A

Are there alternatives to 4-(8-Methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine (CAS: 102771-26-6) in synthesis?

While 4-(8-Methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine (CAS:...

102771-26-64-(8-Methyl-9H-1,3-d...
Compound Q&A

What is the market or research trend for tert-butyl 3-hydroxy-4,5,7,8-tetrahydro-2H-pyrazolo[3,4-d]azepine-6-carboxylate (CAS: 851376-80-2)?

The market for tert-butyl 3-hydroxy-4,5,7,8-tetrahydro-2H-pyrazolo[3,4-d]azepine...

851376-80-2tert-butyl 3-hydroxy...
Compound Q&A

How should waste containing 3,5-Diamino-1H-pyrazole-4-carbonitrile (CAS: 6844-58-2) be handled?

Waste containing 3,5-Diamino-1H-pyrazole-4-carbonitrile (CAS: 6844-58-2) should ...

6844-58-23,5-Diamino-1H-pyraz...
Compound Q&A

How is (6-Fluoro-3-pyridinyl)boronic acid (CAS: 351019-18-6) typically synthesized?

(6-Fluoro-3-pyridinyl)boronic acid can be synthesized through the reaction of 6-...

351019-18-6(6-Fluoro-3-pyridiny...
Compound Q&A

What industries use Dibenzyl carbonimidoylbiscarbamate (CAS: 10065-79-9)?

Dibenzyl carbonimidoylbiscarbamate (CAS: 10065-79-9) finds applications in vario...

10065-79-9Dibenzyl carbonimido...
Compound Q&A

What is the market or research trend for (beta,beta,2,3,4,5,6-~2~H_7_)Phenylalanine (CAS: 74228-83-4)?

The market for (beta,beta,2,3,4,5,6-~2~H_7_)Phenylalanine (CAS: 74228-83-4) is g...

74228-83-4(beta,beta,2,3,4,5,6...

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 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.