Electronic, Mechanical and Elastic Anisotropy Properties of X-Diamondyne (X = Si, Ge)

Fan, Qingyang; Duan, Zhongxing; Song, Yanxing; Zhang, Wei; Zhang, Qidong; Yun, Sining

doi:10.3390/ma12213589

Cited by 10 publications

(5 citation statements)

References 56 publications

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“…The obtained Debye temperature of Pnma-BN is determined to be 1504 K at zero pressure by Ma et al, [55] which is slightly smaller than that of tP40 carbon. Fan et al [69] calculated and discussed the Θ D of Pbca-BN (1734 K), diamond (2230 K), [70] Diamondyne (422 K) [71] at ambient pressure. Of all the materials mentioned in this work, diamond has the highest Θ D and is the hardest material, and the Debye temperatures of Diamondyne is the lowest.…”

Section: Elastic Propertiesmentioning

confidence: 99%

tP40 carbon: A novel superhard carbon allotrope*

Liu¹,

Fan²,

Yang³

et al. 2020

Chinese Phys. B

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In this work, a novel carbon allotrope tP40 carbon with space group P4/mmm is proposed. The structural stability, mechanical properties, elastic anisotropy, and electronic properties of tP40 carbon are investigated systematically by using density functional theory (DFT). The calculated elastic constants and phonon dispersion spectra indicate that the tP40 phase is a metastable carbon phase with mechanical stability and dynamic stability. The B/G ratio indicates that tP40 carbon is brittle from 0 GPa to 60 GPa, while tP40 carbon is ductile from 70 GPa to 100 GPa. Additionally, the anisotropic factors and the directional dependence of the Poisson’s ratio, shear modulus, and Young’s modulus of tP40 carbon at different pressures are estimated and plotted, suggesting that the tP40 carbon is elastically anisotropic. The calculated hardness values of tP40 carbon are 44.0 GPa and 40.2 GPa obtained by using Lyakhov–Oganov’s model and Chen’s model, respectively, which means that the tP40 carbon can be considered as a superhard material. The electronic band gap within Heyd–Scuseria–Ernzerhof hybrid functional (HSE06) is 4.130 eV, and it is found that the tP40 carbon is an indirect and wider band gap semiconductor material.

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Section: Elastic Propertiesmentioning

confidence: 99%

tP40 carbon: A novel superhard carbon allotrope*

Liu¹,

Fan²,

Yang³

et al. 2020

Chinese Phys. B

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“…The molecular weights of α1 and α2 EDTA-ASC and EDTA-PSC subunits were approximately 110 kDa and <100 kDa, respectively, which are different from those of carp bone collagen (α2 is exactly 116 kDa), [16] alligator (Alligator mississippiensis) bone collagen (α1 and α2 chains are 123 and 110 kDa, respectively), [17] backbone collagen of Baltic cod (α1 and α2 chains are visible near 116 kDa), [18] and black drum and sheephead sea bream bone collagen (α1 and α2 chains are 130 and 110 kDa, respectively). [19] Moreover, high molecular weight components were observed in EDTA-ASC and EDTA-PSC, including β and γ components.…”

Section: Sds-pagementioning

confidence: 76%

Functional Properties of Collagen Extracted From Catfish ( Silurus triostegus) Bone

Abbas¹,

Shakir²

2023

JoBRC

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Back ground: Collagen accounts for 25percent of all proteins found in vertebrates. The words "collagen"is created with Greek words "kolla" and "genos," which respectively mean "glue" and "formation." It hasa wide range of biological and pharmacological uses. Pig and cow skins provide the majority of thecollagen. Utilizing animal collagen has been restricted as a result of epidemics of certain animal diseasesincluding foot-and-mouth disease (FMD) and bovine spongiform encephalopathy (BSE) (FMD), whichpose a risk of transmission to humansObjective: The goal of this study is to extract collagen from catfish bone.Material and methods: Catfish (Silurus triostegus) bone was used to extract collagen that has beenpepsinized and acid-solubilized collagen (ASC) (PSC). The extracts' proximate composition (moisture,protein, fat, and ash) was measured, and dry weight was used to compute the yield of ASC and PSC. Themolecular weight of experimental collagen ranged from 97 to 200 KD, according to the SDS-PAGEpattern. In order to identify bone collagen, the Fourier Transform Infrared (FTIR) spectra analysis for theacquired ASC and PSC, as well as the standard collagen (type I, II), was used. Using a scanning electronmicroscope (SEM, the morphological structure of ASC and PSC was revealed), and the diffraction angles(2 θ) of ASC and PSC were determined using X-ray analysis. For quality control, the HPLC techniquewas used to determine the collagen.Rustles: The proximate composition of ASC and PSC bone of catfish. The ASC bone of catfish containedmoisture (75.22%), good amount of protein (16.65%) , fat (2.40%) and ash content (0.28 %), While thePSC bone had slightly lower moisture (68.50%) than ASC, it had higher protein (19.93%), fat (1.825%),and ash (0.58%) levels ,HPLC SEM ,FTIR ,Electrophoresis, X-ray.Conclusion: Fish bone was promising sources for preparing collagen, acid soluble collagen (ASC),pepsin soluble collagen (PSC) were successfully extracted by two methods. The collagen extracted frombone catfish, was of type I collagen, which are composed two α1, one α2 chains, and β chains as shownby SDS-PAGE patterns.

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“…Therefore, from the three-dimensional contour plots in Figure 4, it can be clearly seen that the mechanical anisotropy of the E of AlN is the largest. Similar to other materials [47][48][49][50], the Y max /Y min ratio (where Y is E, G and v) is used to quantify the anisotropy of various elastic moduli in this work. The maximum values and the minimum values of the E for XN in the Pm−3n phase are illustrated in Figure 5a, respectively.…”

Section: Mechanical and Anisotropy Propertiesmentioning

confidence: 99%

Physical Properties of XN (X = B, Al, Ga, In) in the Pm−3n phase: First-Principles Calculations

et al. 2020

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Three direct semiconductor materials and one indirect semiconductor material, Pm−3n XN (X = B, Al, Ga, In), are investigated in our work, employing density functional theory (DFT), where the structural properties, stability, elastic properties, elastic anisotropy properties and electronic properties are included. The shear modulus G and bulk modulus B of Pm−3n BN are 290 GPa and 244 GPa, respectively, which are slightly less than the values of B and G for c-BN and Pnma BN, while they are larger than those of C64 in the I41/amd phase. The shear modulus of Pm−3n BN is the greatest, and the shear modulus of C64 in the I41/amd phase is the smallest. The Debye temperatures of BN, AlN, GaN and InN are 1571, 793, 515 and 242 K, respectively, using the elastic modulus formula. AlN has the largest anisotropy in the Young’s modulus, shear modulus, and Poisson‘s ratio; BN has the smallest elastic anisotropy in G; and InN has the smallest elastic anisotropy in the Poisson’s ratio. Pm−3n BN, AlN, GaN and InN have the smallest elastic anisotropy along the (111) direction, and the elastic anisotropy of the E in the (100) (010) (001) planes and in the (011) (101) (110) planes is the same. The shear modulus and Poisson’s ratio of BN, AlN, GaN and InN in the Pm−3n phase in the (001), (010), (100), (111), (101), (110), and (011) planes are the same. In addition, AlN, GaN and InN all have direct band-gaps and can be used as a semiconductor within the HSE06 hybrid functional.

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Electronic, Mechanical and Elastic Anisotropy Properties of X-Diamondyne (X = Si, Ge)

Cited by 10 publications

References 56 publications

tP40 carbon: A novel superhard carbon allotrope*

tP40 carbon: A novel superhard carbon allotrope*

Functional Properties of Collagen Extracted From Catfish ( Silurus triostegus) Bone

Physical Properties of XN (X = B, Al, Ga, In) in the Pm−3n phase: First-Principles Calculations

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