2D Octagon-Structure Carbon and Its Polarization Resolved Raman Spectra

He, Chunshan; Wang, Weiliang

doi:10.3390/nano10112252

Cited by 7 publications

(5 citation statements)

References 59 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Molec-017403-3 ular dynamics simulations also indicate that octagraphene can hold stability even at a high temperature. [18,22,[42][43][44] The mechanical properties of octagraphene are also similar to those of graphene according to previous reports. [22,33,45,46] As it has a C 4v symmetry, two independent elastic constants are 296 N/m and 46 N/m, respectively.…”

Section: Mechanical Stabilitysupporting

confidence: 87%

Superconductivity in octagraphene

Jun¹,

Yao²

2022

Chinese Phys. B

View full text Add to dashboard Cite

This article reviews the basic theoretical aspects of octagraphene, an one-atom-thick allotrope of carbon, with unusual two-dimensional (2D) Fermi nesting, hoping to contribute to the new family of quantum materials. Octagraphene has an almost strongest sp 2 hybrid bond similar to graphene, and has the similar electronic band structure as iron-based superconductors, which makes it possible to realize high-temperature superconductivity. We have compared various possible mechanisms of superconductivity, including the unconventional s ± superconductivity based on spin fluctuation and conventional superconductivity based on electron-phonon coupling. Theoretical studies have shown that octagraphene has relatively high structural stability. Although many 2D carbon materials with C 4 carbon ring and C 8 carbon ring structures have been reported, it is still challenging to realize the octagraphene with pure square-octagon structure experimentally. This material holds hope to realize new 2D high-temperature superconductivity.

show abstract

Section: Mechanical Stabilitysupporting

confidence: 87%

Superconductivity in octagraphene

Jun¹,

Yao²

2022

Chinese Phys. B

View full text Add to dashboard Cite

show abstract

“…It is a semiconductor for narrow quasi-one-dimensional (1D) nanoribbons but is a metal for wide nanoribbons and 2D monolayers. Similar structures for carbon − and BN have been proposed/predicted or treated theoretically. Motivated by the recent, experimental work by Fan et al, we performed an extensive theoretical study not only on carbon in ohs structure but also on ohs monolayers of group IV elements (Si, Ge) and group IV–IV (SiC, GeC, SnC), III–V (BN, BP, BAs, BSb, AlN, AlP, GaN, InN), and II–VI (ZnSe) compounds and their multilayers as well as three-dimensional (3D) periodic ohs crystals.…”

Section: Introductionsupporting

confidence: 66%

Functional Carbon and Silicon Monolayers in Biphenylene Network

Görkan

Çallıoğlu

Demirci

et al. 2022

ACS Appl. Electron. Mater.

View full text Add to dashboard Cite

We investigated the effects of vacancy, void, substitutional impurity, isolated adsorption of selected adatoms, and their patterned coverage on the physical and chemical properties of metallic carbon and silicon monolayers in a biphenylene network. These monolayers can acquire diverse electronic and magnetic properties to become more functional depending on the repeating symmetry, size of the point defects, and on the type of adsorbed adatoms. While a carbon monovacancy attains a local magnetic moment, its void can display closed edge states with interesting physical effects. Adsorbed light-transition or rare-earth metal atoms attribute magnetism to these monolayers. The opening of a gap in the metallic density of states, which depends on the pattern and density of adsorbed hydrogen, oxygen, and carbon adatoms, can be used as the band gap engineering of these two-dimensional materials. The energy barriers against the passage of oxygen atoms through the centers of hexagon and octagon rings are investigated, and the coating of the active surfaces with carbon monolayers is exploited as a means of protection against oxidation. We showed that the repulsive forces exerting even at distant separations between two parallel, hydrogenated carbon monolayers in a biphenylene network can lead to the superlow friction features in their sliding motion. All these results obtained from the calculations using the density functional theory herald critical applications.

show abstract

“…The square/octagon structure [26,27] has attracted a lot of attention in the past. He and Wang predicted two Dirac points for the square/octagon structure of carbon and investigated the vibrational properties of the carbon monolayer and its Raman spectrum [28]. In the same year, Wu et al predicted the TE properties of so-Bi, and their results showed that the TE figure of merit of so-Bi can reach a maximum of 0.97, which is higher than that of bismuth monolayer [29].…”

Section: Introductionmentioning

confidence: 99%

Four-phonon scattering of so-As and improvement of the thermoelectric properties by increasing the buckling height

Sun,

Shen,

Duan

et al. 2024

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

In recent years, more and more thermoelectric (TE) materials have been discovered as the research boom of TE materials advances. However, due to the low conversion efficiency, most of the current TE materials cannot meet the commercial demand. The low-dimensional nanomaterials are promising to break the current status quo of low conversion efficiency of TE materials. Here, we predicted a stable two-dimensional TE material, namely so-As, based on density functional theory. The so-As has an ultra-low lattice thermal conductivity, κl=1.829 W/m/K at 300 K, and when the temperature rises to 700 K the κl is only 0.788 W/m/K. This might be caused by the strong anharmonic interaction among the so-As phonon and the out-of-plane vibration of the low-frequency acoustic modes. Moreover, the maximum ZT value of the p-type so-As is 0.18 at room temperature (0.45 at 700 K), while that of the n-type can even reach 0.75 at 700 K. In addition, we have also studied the difference between the four- and three-phonon scattering rates. The increase of scattering channels leads to the ultra-low κl, which is only 3.33×10-4 W/m/K at room temperature, showing an almost adiabatic property. Finally, we adjust the thermoelectric properties of so-As by changing the buckling height. With the buckling height is increased by 2%, the scattering rate of so-As is extremely high. When T is 700 K, the maximum ZT of the n-type is 0.94 (p-type can also reach 0.7), which is 25% higher than the pristine one. Our work reveals the impact of buckling height on the thermoelectric figure of merit, which provides a direction for future search and regulation of the high ZT thermoelectric materials.

show abstract

2D Octagon-Structure Carbon and Its Polarization Resolved Raman Spectra

Cited by 7 publications

References 59 publications

Superconductivity in octagraphene

Superconductivity in octagraphene

Functional Carbon and Silicon Monolayers in Biphenylene Network

Four-phonon scattering of so-As and improvement of the thermoelectric properties by increasing the buckling height

Contact Info

Product

Resources

About