Exploring planar and nonplanar siligraphene: a first-principles study

Tang, Xudong; Li, Wenchao; Luo, Chaobo; Peng, Xiangyang; Zhong, Jianxin

doi:10.1039/c9ra01037h

Cited by 8 publications

(7 citation statements)

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“…To date, many 2D SiC materials have been theoretically predicted to be structurally stable. For example, C-rich siligraphene (SiC 2 , SiC 3 , SiC 5 and SiC 7 ) [20][21][22][23][24][25][26][27] and Si-rich siligraphene (Si 3 C, Si 5 C and Si 7 C) have been proposed by high-throughput density functional theory (DFT) calculations. [24][25][26][27] Recently, DFT calculations were also employed to seek non-siligraphene crystals such as penta-SiC 2 , SiC 6 , α-SiC 7 , SiC 8 , to name a few.…”

Section: Introductionmentioning

confidence: 99%

Intrinsic auxeticity and mechanical anisotropy of Si₉C₁₅ siligraphene

Zhou

Zhang

2023

Nanoscale

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Section: Introductionmentioning

confidence: 99%

Intrinsic auxeticity and mechanical anisotropy of Si₉C₁₅ siligraphene

Zhou

Zhang

2023

Nanoscale

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“…The structural and electronic properties of silicene-like SiX and XSi 3 (X = B, C, N, Al, P) honeycomb lattices have been investigated [43]. Also, the planarity and non-planarity properties for g-SiC and g-Si C (n = 3, 5, and 7) structures have been studied [44].…”

Section: Introductionmentioning

confidence: 99%

“…Because of high absorption of CSi 7 and GeSi 7 , these materials can be considered as a good candidate for solar cell applications. It is worth to mention that germasilicene, GeSi 7 , is a new 2D material proposed and studied in this paper, while carbosilicene, CSi 7 , has been proposed previously as a member of siligraphene but only its band structure has been studied [44][45][46]. The rest of the paper is organized as follows.…”

Section: Introductionmentioning

confidence: 99%

Carbosilicene and germasilicene: Two 2D materials with excellent structural, electronic and optical properties

Amjadian¹,

Esmaeilzadeh²,

Pournaghavi³

2022

Preprint

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Using first principle calculations, we study the structural, optical and electronic properties of two-dimensional silicene-like structures of CSi 7 (carbosilicene) and GeSi 7 (germasilicene) monolayers. We show that both CSi 7 and GeSi 7 monolayers have different buckling that promises a new way to control the buckling in silicene-like structures. Carbon impurity decreases the silicene buckling, whereas germanium impurity increases it. The CSi 7 has semiconducting properties with 0.25 indirect band gap, but GeSi 7 is a semimetal. Also, under uniaxial tensile strain, the semiconducting properties of CSi 7 convert to metallic properties which shows that CSi 7 can be used in straintronic devices such as strain sensor and strain switch. There is no important response for GeSi 7 under strain. The GeSi 7 has higher dielectric constant relative to CSi 7 , silicene and graphene and it can be used as a 2D-material in high performance capacitors. Calculation of cohesive and formation energies show that CSi 7 is more stable than GeSi 7 . Furthermore, we investigate the optical properties of these new materials and we show that CSi 7 and GeSi 7 can significantly increase the light absorption of silicene. The obtained results can pave a new route for tuning the electronic and optical properties of silicene like structures for different applications in nanoelectronic devices.

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Section: Introductionmentioning

confidence: 99%

Preface: In honor of the 100th Anniversary of Harbin Institute of Technology

Zhou

2020

Sci. China Technol. Sci.

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(HIT) was established in 1920 in Harbin, Heilongjiang, China. In 1954, HIT became one of China's first six leading universities. Presently HIT is a member of China's top nine University Union (C9). It is a National Key University with science and engineering as its core and has developed with management, liberal arts, economy, law and other disciplines. This year HIT celebrates its 100th anniversary. HIT's three campuses have graduated more than 300000 students. With strong capabilities in research and innovation, HIT will continue to explore new frontiers and scale greater heights. HIT was the first in China to establish a school of astronautics, the first university to independently develop a small satellite, and the first to realize the scientific experiment of man-machine coordination on in-orbit maintenance (the Tiangong-2 space manipulator). It built the world's first micro-satellite (Longjiang-2) to complete Earth-to-Moon transfer, near-moon braking, and circumlunar flight, and was the first in China to achieve satellite-ground laser link communications. It was a pioneer in realizing target and multi-beam laser auto-alignment of large laser device, as well as space application of magnetic focusing Hall thruster. It developed China's first computer to play chess and talk to humans, China's first new type long range ocean detection radar system, and its first arc-and spot-welding robot. It was the first to reveal the structure of a ligase complex in the HIV virus. It conducted the world's first spaceflight on-orbit demonstration of a flexible solar array system based on shape memory polymer composites. HIT has produced a large number of achievements that have contributed to major space missions, including the first launches of the Long March 7 and the Long March 5, as well as the Tiangong-2 space lab and the Shenzhou-11 manned spacecraft. HIT has signed exchange and cooperation agreements with 278 universities in 39 countries, and since 2011, has led more than 180 international collaborative research projects. In 2011, HIT initiated and jointly established the Association of Sino-Russian Technical Universities (ASRTU) that now counts 67 elite universities as its members. In 2018, HIT became a member of the University of the Arctic, the largest international academic organization in the Circumpolar North. HIT's expansion has seen the growth of its campuses in line with regional development. In the coastal city of Weihai in East China, HIT opened a campus in 1985, focusing on developing marine research and ocean economy, as well as intelligent manufacturing and smart cities. It has undertaken more than 1000 projects, including ocean detection technologies, unmanned vehicles, intelligent robots, new information technology, cyber security, new materials, water purification, and renewable energy, generating hundreds of patents. Seizing the opportunity of the growth of the Guangdong-Hong Kong-Macao Greater Bay Area, HIT's Shenzhen campus is becoming a hub for scientific and technological innovation. Starting from ...

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Exploring planar and nonplanar siligraphene: a first-principles study

Abstract: New nonplanar g-SiC7 and g-Si7C have been found. g-Si5C, though buckled, is energetically very close to its planar counterpart.

Cited by 8 publications

References 41 publications

Intrinsic auxeticity and mechanical anisotropy of Si₉C₁₅ siligraphene

Intrinsic auxeticity and mechanical anisotropy of Si₉C₁₅ siligraphene

Carbosilicene and germasilicene: Two 2D materials with excellent structural, electronic and optical properties

Preface: In honor of the 100th Anniversary of Harbin Institute of Technology

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Exploring planar and nonplanar siligraphene: a first-principles study

Abstract: New nonplanar g-SiC7 and g-Si7C have been found. g-Si5C, though buckled, is energetically very close to its planar counterpart.

Cited by 8 publications

References 41 publications

Intrinsic auxeticity and mechanical anisotropy of Si9C15 siligraphene

Intrinsic auxeticity and mechanical anisotropy of Si9C15 siligraphene

Carbosilicene and germasilicene: Two 2D materials with excellent structural, electronic and optical properties

Preface: In honor of the 100th Anniversary of Harbin Institute of Technology

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Intrinsic auxeticity and mechanical anisotropy of Si₉C₁₅ siligraphene

Intrinsic auxeticity and mechanical anisotropy of Si₉C₁₅ siligraphene