Electronic structural critique of interesting thermal and optical properties of C17Ge germagraphene

文献信息

发布日期 2020-03-25
DOI 10.1039/D0CP00884B
影响因子 3.676
作者

Debnarayan Jana


查看原文

摘要

In this communication, we report a theoretical attempt to understand the involvement of the electronic structure in determining the optical and thermal properties of C17Ge germagraphene, a buckled two-dimensional material. The structure is found to be a direct bandgap semiconductor with low carrier effective mass. Our study has revealed the effect of spin–orbit coupling on the band structure, and the appearance of spin Hall current on the material. The selectively high blue to ultraviolet light absorption, and a refractive index comparable to flint glass, open up the possible applicability of this material for optical devices. From an electronic structural point of view, we investigate the reason behind its moderately high Seebeck coefficient and power factor which are comparable to traditional thermoelectric materials. Besides its narrow bandgap and relatively smaller work function of 4.361 eV, compared to graphene (4.390 eV) and germanene (4.682 eV), ensures easier removal of electrons from the surface. This material turns out to be an excellent alternative for future semiconductor applications, from optical to thermal devices.

相关文献

Designing idealised devices for bias-free solar water splitting

Jaemin Park, Dukjoon Kim, Jung Kyu Kim

2023-12-26 Perspective

DOI: 10.1039/D3SE01371E

Contents list

2024-01-30 Front/Back Matter

DOI: 10.1039/D4SE90011A

Temperature gradient reduction in a tubular direct ammonia solid oxide fuel cell by fluidizing the cathode particles

Yu Qiu, Yanxin Yang, Enkang Fu, Rui Xiao

2024-01-03 Paper

DOI: 10.1039/D3SE01168B

Graphene and graphene–cellulose nanocrystal composite films for sustainable anodes in biophotovoltaic devices

Laura T. Wey, Jouko Peltonen, Yagut Allahverdiyeva

2023-12-01 Paper

DOI: 10.1039/D3SE01185B

Composition dependence of X-ray stability and degradation mechanisms at lead halide perovskite single crystal surfaces

Alberto García-Fernández, Stefania Riva, Håkan Rensmo

2023-12-13 Paper

DOI: 10.1039/D3CP05061K

Improved ion adsorption capacities and diffusion dynamics in surface anchored MoS2⊥Mo4/3B2 and MoS2⊥Mo4/3B2O2 heterostructures as anodes for alkaline metal-ion batteries

Zifeng Song, Haoliang Liu, Baiyi Chen, Qin Jiang, Fengxiang Sui, Kai Wu, Yonghong Cheng, Bing Xiao

2023-11-27 Paper

DOI: 10.1039/D3CP05035A

Energy transfer from two luteins to chlorophylls in light-harvesting complex II study by using exciton models with phase correction

Jiarui Li, Tao Zeng, Zexing Qu, Yu Zhai, Hui Li

2023-12-04 Paper

DOI: 10.1039/D3CP05278H

Pressure effects on both fluorescent emission and charge transport properties of organic semiconductors: a computational study

Yi Zeng, Wen Shi, Qian Peng, Yingli Niu, Zhiying Ma, Xiaoyan Zheng

2023-12-05 Paper

DOI: 10.1039/D3CP03852A

您可能还喜欢

化合物问答

4-[[6-(3-苯基苯基)-7H-嘌呤-2-基]氨基]苯磺酰胺(CAS号:2079895-42-2)适用哪些法规指南?

该化合物需遵循REACH法规以确保其安全使用和管理。同时,根据其潜在的生物降解性和毒性,也需要符合GHS分类中的相应要求。此外,若用于医药或食品相关领域,则还需...

2079895-42-24-{[6-(3-Biphenylyl)...
化合物问答

反式-度骨化醇(CAS号:74007-20-8)的物理化学性质是什么?

反式-度骨化醇是一种脂溶性维生素D3的衍生物,呈无色或白色结晶性粉末,不溶于水,溶于乙醇、丙酮、氯仿等有机溶剂。其分子式为C28H44O,分子量为404.65。...

74007-20-8trans-Doxercalcifero...
化合物问答

莲花掌苷(CAS号:59282-56-3)的市场或研究趋势如何?

莲花掌苷作为一种天然产物,近年来在抗炎、抗癌等生物活性研究方面显示出一定的潜力,因此市场需求逐渐增长。市场动态方面,随着天然产物开发的深入,预计该化合物的研究会...

59282-56-3Lindleyin
化合物问答

2-溴-6-(吡咯烷-1-基)吡啶-4-硼酸频那醇酯(CAS号:1150271-64-9)应用于哪些行业?

2-溴-6-(吡咯烷-1-基)吡啶-4-硼酸频那醇酯在医药领域有着广泛的应用,它可以用作药物合成中的中间体。此外,它还可以用于有机合成,特别是在构建复杂杂环化合...

1150271-64-92-Bromo-6-(1-pyrroli...
化合物问答

什么是methyl 2-(4-bromophenyl)-3-methylbutanoate(CAS号:1061284-70-5)?

methyl 2-(4-溴苯基)-3-甲基丁酸甲酯是一种化学物质,分子式为C12H13BrO2。它是一种有机化合物,具有一定的挥发性和易燃性。

1061284-70-52-(4-Bromo-phenyl)-3...
化合物问答

CJC1-295(CAS号:863288-34-0)的物理化学性质是什么?

CJC1-295是一种具有复杂肽链结构的化合物,其分子量约为1875 Da。该化合物在水中具有一定的溶解性,但在有机溶剂中的溶解性不佳。它是一种反应活性化合物,...

863288-34-0L-tyrosyl-D-alanyl-L...
化合物问答

三正丁基锍碘(CAS号:18146-62-8)的市场或研究趋势如何?

三正丁基锍碘作为一种重要的有机硫化合物,主要用于有机合成中作为亲电试剂。近年来,由于其在合成中的广泛应用,市场对其需求持续增长。此外,随着绿色化学的发展,对其替...

18146-62-8Tributylsulfonium io...
化合物问答

雌二醇-[13C3]同位素内标(CAS号:1261254-48-1)通常如何合成?

雌二醇-[13C3]同位素内标通常通过在雌二醇分子中引入[13C3]同位素来合成。常见的方法是通过化学标记反应,如与[13C3]标记的甲基溴化物进行亲核取代反应...

1261254-48-117beta-Estradiol-2,3...
化合物问答

N1-(2-吡啶甲基)-N2-(2-甲基-1-萘基)草酰胺(CAS号:2611225-93-3)的物理化学性质是什么?

N1-(2-吡啶甲基)-N2-(2-甲基-1-萘基)草酰胺为固体化合物,具有良好的结晶形态,分子量为340.34 g/mol。该化合物在水中的溶解度较低,但在有...

2611225-93-3N-(2-Methyl-1-naphth...
化合物问答

如何处理含有十五碳烯酸甲酯(顺-10)(C15:1)标准品(CAS号:90176-52-6)的废料?

含有十五碳烯酸甲酯(顺-10)(C15:1)标准品的废料应首先进行适当收集和储存,避免与其他化学品混合。然后,可采用焚烧或交由专业废物处理公司进行处理。处理过程...

90176-52-6(Z)-10-Pentadecenoic...

来源期刊

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
自引率: 10.3%
年发文量: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

推荐供应商

免责声明
本页面提供的学术期刊信息仅供参考和研究使用。我们与任何期刊出版商均无关联,也不处理投稿事宜。如有投稿相关咨询,请直接联系相关期刊出版商。
如发现页面信息有误,请发送邮件至 support@chemtradehub.com 联系我们。我们将及时核实并处理您的问题。