scholarly journals Penta-graphene: A new carbon allotrope

2015 ◽  
Vol 112 (8) ◽  
pp. 2372-2377 ◽  
Author(s):  
Shunhong Zhang ◽  
Jian Zhou ◽  
Qian Wang ◽  
Xiaoshuang Chen ◽  
Yoshiyuki Kawazoe ◽  
...  

A 2D metastable carbon allotrope, penta-graphene, composed entirely of carbon pentagons and resembling the Cairo pentagonal tiling, is proposed. State-of-the-art theoretical calculations confirm that the new carbon polymorph is not only dynamically and mechanically stable, but also can withstand temperatures as high as 1000 K. Due to its unique atomic configuration, penta-graphene has an unusual negative Poisson’s ratio and ultrahigh ideal strength that can even outperform graphene. Furthermore, unlike graphene that needs to be functionalized for opening a band gap, penta-graphene possesses an intrinsic quasi-direct band gap as large as 3.25 eV, close to that of ZnO and GaN. Equally important, penta-graphene can be exfoliated from T12-carbon. When rolled up, it can form pentagon-based nanotubes which are semiconducting, regardless of their chirality. When stacked in different patterns, stable 3D twin structures of T12-carbon are generated with band gaps even larger than that of T12-carbon. The versatility of penta-graphene and its derivatives are expected to have broad applications in nanoelectronics and nanomechanics.

ChemNanoMat ◽  
2019 ◽  
Vol 6 (1) ◽  
pp. 139-147 ◽  
Author(s):  
Wei Zhang ◽  
Changchun Chai ◽  
Qingyang Fan ◽  
Yanxing Song ◽  
Yintang Yang

Materials ◽  
2020 ◽  
Vol 13 (8) ◽  
pp. 1926 ◽  
Author(s):  
Wei Zhang ◽  
Changchun Chai ◽  
Qingyang Fan ◽  
Yanxing Song ◽  
Yintang Yang

A metastable sp3-bonded carbon allotrope, Penta-C20, consisting entirely of carbon pentagons linked through bridge-like bonds, was proposed and studied in this work for the first time. Its structure, stability, and electronic and mechanical properties were investigated based on first-principles calculations. Penta-C20 is thermodynamically and mechanically stable, with equilibrium total energy of 0.718 and 0.184 eV/atom lower than those of the synthesized T-carbon and supercubane, respectively. Penta-C20 can also maintain dynamic stability under a high pressure of 100 GPa. Ab initio molecular dynamics (AIMD) simulations indicates that this new carbon allotrope can maintain thermal stability at 800 K. Its Young’s modulus exhibits mechanical anisotropy. The calculated ideal tensile and shear strengths confirmed that Penta-C20 is a superhard material with a promising application prospect. Furthermore, Penta-C20 is a direct band gap carbon based semiconducting material with band gap of 2.89 eV.


2015 ◽  
Vol 17 (33) ◽  
pp. 21605-21610 ◽  
Author(s):  
Zhen Zhu ◽  
Jiamin Xiao ◽  
Haibin Sun ◽  
Yue Hu ◽  
Ronggen Cao ◽  
...  

Obtaining the value of the band gap and the composition of an indirect–direct band gap transition point for group-IV semiconductor alloys by an efficient and reliable method.


2021 ◽  
Vol 19 ◽  
pp. 45-52
Author(s):  
Majedul Haque Mithun ◽  
Abu Sayed ◽  
Imteaz Rahaman

The aim of this work is to measure the effect of band-gap on TiO2 thin films by changing tetrabutylorthotitanate (TBOT), diethanolamine (DEA), and temperature. The sol-gel method is experimentally introduced to find out the better band-gap of TiO2 thin films by varying the concentration of TBOT (4 ml to 10 ml), DEA (2 ml to 5 ml), and temperature (350°C to 650°C). With the help of an ultraviolet-visible spectrophotometer for the wavelength of 300-900 nm, these thin films are characterized concerning optical properties (transmittance spectra, absorbance spectra, direct band-gap, and indirect band-gap). The direct and indirect band-gaps are found 3.38 eV and 3.25 eV respectively, which are close to or within the standard band-gap range of TiO2 (3.2 eV to 3.35 eV) and are found at 8 ml TBOT, 3 ml DEA, and a temperature of 550°C.


2020 ◽  
Vol 33 (4) ◽  
pp. 045502
Author(s):  
Xing Yang ◽  
Yuwei Wang ◽  
Ruining Xiao ◽  
Huanxiang Liu ◽  
Zhitong Bing ◽  
...  

2019 ◽  
Vol 123 (7) ◽  
pp. 4567-4573 ◽  
Author(s):  
Yiheng Shen ◽  
Jiabing Yu ◽  
Junyi Liu ◽  
Yaguang Guo ◽  
Yu Qie ◽  
...  

2017 ◽  
Vol 11 (2) ◽  
pp. 127-135 ◽  
Author(s):  
Martina Gilic ◽  
Milica Petrovic ◽  
Jovana Cirkovic ◽  
Novica Paunovic ◽  
Svetlana Savic-Sevic ◽  
...  

Thin films of CuSe2 nanoparticles embedded in selenium matrix were prepared by vacuum evaporation method on a glass substrate at room temperature. The optical properties of the films were investigated by photoluminescence spectroscopy (T=20-300K) and UV-VIS spectroscopy (T = 300K). Surface morphology was investigated by scanning electron microscopy. The band gap for direct transition in CuSe2 was found to be in the range of 2.72-2.75 eV and that for indirect transition is in the range of 1.71-1.75 eV determined by UV-VIS spectroscopy. On the other hand, selenium exhibits direct band gap in the range of 2.33-2.36 eV. All estimated band gaps slightly decrease with the increase of the film thickness. Photoluminescence spectra of the thin films clearly show emission bands at about 1.63 and 2.32 eV at room temperature, with no shift observed with decreasing temperature. A model was proposed for explaining such anomaly.


2007 ◽  
Vol 22 (12) ◽  
pp. 3281-3291 ◽  
Author(s):  
Richard Soref ◽  
John Kouvetakis ◽  
John Tolle ◽  
Jose Menendez ◽  
Vijay D’Costa

We recently reported the chemical vapor deposition growth of binary Ge1–ySny and ternary Ge1–ySixSny alloys directly on Si wafers using SnD4, Ge2H6 (di-germane), SiH3GeH3, and (GeH3)2SiH2 sources. Ge1–ySny is an intriguing infrared (IR) material that undergoes an indirect-to-direct band-gap transition for y < 0.1. In addition, we have found that Ge1–ySny layers have ideal properties as templates for the subsequent deposition of other semiconductors: (i) they are strain-relaxed and have low threading-defect densities (105 cm−2) even for films thinner than 1 μm; (ii) their low growth temperatures between 250 and 350 °C are compatible with selective growth, and the films possess the necessary thermal stability for conventional semiconductor processing (up to 750 °C, depending on composition); (iii) they exhibit tunable lattice constants between 5.65 Å and at least 5.8 Å, matching InGaAs and related III-V systems; (iv) their surfaces are extremely flat; (v) they grow selectively on Si and not on SiO2; and (vi) the film surface can be prepared by simple chemical cleaning for subsequent ex situ epitaxy. The incorporation of Sn lowers the absorption edges of Ge. Therefore, Ge1–ySny is attractive for detector and photovoltaic applications that require band gaps lower than that of Ge. Spectroscopic ellipsometry and photoreflectance experiments show that the direct band gap is halved for as little as y = 0.15. Studies of a Ge0.98Sn0.02 sample yield an absorption coefficient of 3500 cm−1 at 1675 nm (0.74 eV). Thus, IR detectors based on Ge0.98Sn0.02 could easily cover the L-(1565–1625 nm) and C-(1530–1565 nm) telecomm bands. Photoluminescence studies show band-gap emission on thin GeSn layers sandwiched between higher band-gap SiGeSn barriers. We have made advances in p- and n-doping of GeSn and present results on electrical characterizations. Hall measurements reveal mobilities as high as of 600 cm2/V-s and background p-dopant concentrations in the 1016 cm−3 range for samples with nominal composition and thickness of Ge0.98Sn0.02 and ∼500 nm, respectively. GeSn also has application in band-to-band laser heterodiodes. The ternary system Ge1–x–ySixSny grows on Ge1–ySny-buffered Si. It represents the first practical group IV ternary alloy, because C can only be incorporated in minute amounts to the Ge–Si network. The most significant feature of Ge1–x–ySixSny is the possibility of independent adjustment of the lattice constant and band gap. For the same value of the lattice constant, one can obtain band gaps differing by >0.2 eV, even if the Sn concentration is limited to the range y < 0.2. This property can be used to develop a variety of novel devices, from multicolor detectors to multiple-junction photovoltaic cells. A linear interpolation of band-gap lattice constants between Si, Ge, and α–Sn shows that it is possible to obtain SiGeSn with a band gap and a lattice constant larger than that of Ge. We shall use this feature to make a tensile-strained Ge-on-SiGeSn telecomm detector with improved performance. To date, record high tensile strain (0.40%) has been achieved in Ge layers grown on GeSn-buffered Si where the strain is systematically tuned by adjusting the lattice constant in the buffer. A tensile-strain-induced direct gap of Ge can be used also for laser diodes and electroptical modulators.


2021 ◽  
pp. 108602
Author(s):  
Qingyang Fan ◽  
Ruida Zhao ◽  
Li Jiang ◽  
Wei Zhang ◽  
Yanxing Song ◽  
...  

2021 ◽  
Vol 198 ◽  
pp. 110689
Author(s):  
Wen Tong ◽  
Qun Wei ◽  
Bing Wei ◽  
Mingwei Hu ◽  
Linqian Li ◽  
...  

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