Electronic and magnetic properties of SiC nanoribbons by F termination

Song, Yan; Yang, Zongxian; Xu, Hai-Qing; Wang, C.; Gao, Zhixian

doi:10.1140/epjb/e2011-20291-x

Cited by 4 publications

(2 citation statements)

References 17 publications

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“…Various research groups have also investigated the magnetic properties of SiC nanoribbons [ 54 , 83 ]. It has been found that unlike armchair edges that are non-magnetic semiconductor, zigzag edges are magnetic metals.…”

Section: Magnetic Propertiesmentioning

confidence: 99%

Two-Dimensional Silicon Carbide: Emerging Direct Band Gap Semiconductor

Chabi

Kadel

2020

Nanomaterials

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As a direct wide bandgap semiconducting material, two-dimensional, 2D, silicon carbide has the potential to bring revolutionary advances into optoelectronic and electronic devices. It can overcome current limitations with silicon, bulk SiC, and gapless graphene. In addition to SiC, which is the most stable form of monolayer silicon carbide, other compositions, i.e., SixCy, are also predicted to be energetically favorable. Depending on the stoichiometry and bonding, monolayer SixCy may behave as a semiconductor, semimetal or topological insulator. With different Si/C ratios, the emerging 2D silicon carbide materials could attain novel electronic, optical, magnetic, mechanical, and chemical properties that go beyond those of graphene, silicene, and already discovered 2D semiconducting materials. This paper summarizes key findings in 2D SiC and provides insight into how changing the arrangement of silicon and carbon atoms in SiC will unlock incredible electronic, magnetic, and optical properties. It also highlights the significance of these properties for electronics, optoelectronics, magnetic, and energy devices. Finally, it will discuss potential synthesis approaches that can be used to grow 2D silicon carbide.

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Section: Magnetic Propertiesmentioning

confidence: 99%

Two-Dimensional Silicon Carbide: Emerging Direct Band Gap Semiconductor

Chabi

Kadel

2020

Nanomaterials

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“…The higher orientation level of PMMA in [Zn 2 (BDC) 2 TED] n than that in [Zn 2 (BPDC) 2 TED] n on the other hand indicates that the pore diameter of [Zn 2 (BDC) 2 TED] n is a better match for the dimension of the MMA monomers. Compared with the orientation of amorphous PMMA in Lu et al , which is only −0.007, the orientation degrees of PMMA chains in these 2 MOFs have been improved a lot.…”

Section: Resultsmentioning

confidence: 99%

Theoretical study on adsorption properties of methyl methacrylate and its molecular chain within metal‐organic frameworks

Lü

et al. 2017

J of Physical Organic Chem

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Utilizing metal‐organic frameworks (MOFs) as a “polymerization container” is a very effective method to prepare oriented and therefore birefringent polymer materials. In particular, the adsorption of polymer monomers and molecular chains within MOFs has a profound impact on the orientation of polymer chains. In this work, a theoretical study on the adsorption properties of methyl methacrylate (MMA) and its molecular chain within MOFs has been conducted by employing a combination of molecular dynamics, density functional theory, and Monte Carlo method, where 2 MOFs, [Zn2(1,4‐benzenedicarboxylate)2triethylenediamine]n and [Zn2(4,4′‐biphenyldicarboxylate)2triethylenediamine]n, were chosen. The corresponding number and degree of orientation of adsorbed molecules in these 2 MOFs were obtained from the simulations. The calculation results revealed 3 factors that affect the adsorption and orientation of MMA monomers in MOF pore channels. First, as the walls of the MOF pores are polar surfaces and consist of metal ions and organic ligands, the electrostatic interaction between the MOF channels and polar MMA molecules promotes the adsorption and orientation of the MMA monomers within the pore channel. Second, the electrostatic interactions between monomers can reduce the intermolecular gaps, which similarly assist in their orientation. Last, the relative sizes of the MOF pores and the monomers are also relevant. When the sizes of the MOF channels and monomers are similar, the molecular chains show a higher degree of orientation. The results and the findings of this work could provide predictive methods for selecting polymeric monomers or MOFs that may be ideal for the control of polymer chain orientation.

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First principles calculations of optical properties of the armchair SiC nanoribbons with O, F and H termination

Song

2018

Pramana - J Phys

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Electronic and magnetic properties of SiC nanoribbons by F termination

Cited by 4 publications

References 17 publications

Two-Dimensional Silicon Carbide: Emerging Direct Band Gap Semiconductor

Two-Dimensional Silicon Carbide: Emerging Direct Band Gap Semiconductor

Theoretical study on adsorption properties of methyl methacrylate and its molecular chain within metal‐organic frameworks

First principles calculations of optical properties of the armchair SiC nanoribbons with O, F and H termination

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