Mechanical and electronic properties of pristine and Ni-doped Si, Ge, and Sn sheets

Literature Information

Publication Date 2013-11-19
DOI 10.1039/C3CP54655A
Impact Factor 3.676
Authors

Abhishek K. Singh


View Original

Abstract

Silicene, a graphene analogue of silicon, has been generating immense interest due to its potential for applications in miniaturized devices. Unlike planar graphene, silicene prefers a buckled structure. Here we explore the possibility of stabilizing the planar form of silicene by Ni doping using first principles density functional theory based calculations. It is found that planar as well as buckled structure is stable for Ni-doped silicene, but the buckled sheet has slightly lower total energy. The planar silicene sheet has unstable phonon modes. A comparative study of the mechanical properties reveals that the in-plane stiffness of both the pristine and the doped planar silicene is higher compared to that of the buckled silicene. This suggests that planar silicene is mechanically more robust. Electronic structure calculations of the planar and buckled Ni-doped silicene show that the energy bands at the Dirac point transform from linear behavior to parabolic dispersion. Furthermore, we extend our study to Ge and Sn sheets that are also stable and the trends of comparable mechanical stability of the planar and buckled phases remain the same.

Related Literature

Synthesis of copper naphthalocyanine/graphene oxide composites as anode materials for lithium-ion batteries

Qiuya Li, Bin Li, Ping Wu, Qiwei Tang, Tianyong Zhang, Shuang Jiang, Ning Zhang

2023-11-04 Paper

DOI: 10.1039/D3CP04193J

Impact of a rubrene buffer layer on the dynamic magnetic behavior of nickel layers on Si(100)

Ranganadha Gopalarao Tanguturi, Jian-Chen Tsai, You-Siang Li, Jyh-Shen Tsay

2023-11-03 Paper

DOI: 10.1039/D3CP04463G

Polarity reversal and strain modulation of Janus MoSSe/GaN polar semiconductor heterostructures

Delin Kong, Feng Tian, Yingying Xu, Shaoqun Zhu, Zetong Yu, Lefeng Xiong, Peipei Li, Huiyun Wei, Xinhe Zheng, Mingzeng Peng

2023-11-01 Paper

DOI: 10.1039/D3CP02137H

Self-assembly synthesis of hollow phosphorus-doped graphitic carbon nitride microboxes for the photodegradation of organic pollutants

Si Cheng, Lifeng Miao, Kunze Xue, Zhenhong Bao, Jian Liang, Xiaohong Li, Wenjun Zhu, Yunxia Chen, Yongzhi Yu

2023-10-30 Paper

DOI: 10.1039/D3CP04262F

Unusual thermo-mechanical properties of the Janus Mo2ScC2OH MXene monolayer

Engin Deligöz

2023-11-08 Paper

DOI: 10.1039/D3CP01698F

Covalently bonded interface in polymer/boron nitride nanosheet composite toward enhanced mechanical and thermal behaviour

Ankur Chaurasia, Kaushlendra Kumar, S. P. Harsha, Avinash Parashar

2023-11-01 Paper

DOI: 10.1039/D3CP04497A

Kinetics of metal detection by luminescence-based whole-cell biosensors: connecting biosensor response to metal bioavailability, speciation and cell metabolism

Jérôme F. L. Duval, Lorenzo Maffei, Eva Delatour, Marie Zaffino, Christophe Pagnout

2023-10-25 Paper

DOI: 10.1039/D3CP04653B

Two-dimensional AlN/TMO van der Waals heterojunction as a promising photocatalyst for water splitting driven by visible light

Ji Tao, Can Li, Shixian Xiong, Zhiqiang Xu, Jingyao Shao, Lei Cao, Ying Zhang, Kejun Dong, Ling-Ling Wang

2023-10-26 Paper

DOI: 10.1039/D3CP04120D

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 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.