Bandgap opening/closing of graphene antidot lattices with zigzag-edged hexagonal holes
文献信息
Shenglin Peng, Zhixiong Yang, Yu Chen, Hui Zou, Xiang Xiong
How to predict the bandgap size of graphene antidot lattices (GALs) is a key problem in the field of graphene-based nanoelectronics. Here, we have obtained the universal rules on bandgap opening/closing of GALs with zigzag-edged hexagonal holes (ZH-GALs), as well as the means to control the bandgap size. In the simple case that the electronic property depends on the choice of the supercell, the quantitative relationship between Eg and the density/diameter of antidots is fitted. Turning to complex structures, we reveal that the bandgap opening in ZH-GALs results mainly from the intervalley scattering. In this interpretation, according to their relative position, the antidots can be divided into three categories. A relatively large bandgap appears in ZH-GALs, only when the numbers of the three categories are unequal. This could be explained based on a mechanism similar to diffraction. A formula according to the explanation is provided to estimate the bandgap, which can be used to predict the electronic properties of GALs and guide the design of semiconductor and photoelectronic devices based on GALs.
相关文献
Multiplexed cancer biomarker detection using chip-integrated silicon photonic sensor arrays
Adam L. Washburn, Winnie W. Shia, Kimberly A. Lenkeit, So-Hyun Lee, Ryan C. Bailey
DOI: 10.1039/C6AN01076H
Magnetic metal–organic frameworks for selective enrichment and exclusion of proteins for MALDI-TOF MS analysis
Wei Wan, Qionglin Liang, Xiaoqiong Zhang, Min Yan, Mingyu Ding
DOI: 10.1039/C6AN01335J
Integrated on-chip mass spectrometry reaction monitoring in microfluidic devices containing porous polymer monolithic columns
C. Dietze, S. Schulze, S. Ohla, K. Gilmore, P. H. Seeberger, D. Belder
DOI: 10.1039/C6AN01467D
Infrared matrix-assisted laser desorption electrospray ionization mass spectrometry imaging analysis of biospecimens
M. T. Bokhart, D. C. Muddiman
DOI: 10.1039/C6AN01189F
Chemical profiling of cerebrospinal fluid by multiple reaction monitoring mass spectrometry‡
Christina R. Ferreira, Karen E. Yannell, Brit Mollenhauer, Ryan D. Espy, Fernanda B. Cordeiro, Z. Ouyang, R. G. Cooks
DOI: 10.1039/C6AN01618A
The correction fluorescence inner filter effect using a single excitation and dual-emission fiber optic probe
DOI: 10.1039/C6AN00836D
Where is it and how much? Mapping and quantifying elements in single cells
Emil Malucelli, Andrea Notargiacomo, Alessandra Gianoncelli, Lucia Merolle, Azzurra Sargenti, Concettina Cappadone
DOI: 10.1039/C6AN01091A
Novel carbon-fiber microelectrode batch fabrication using a 3D-printed mold and polyimide resin
Elefterios Trikantzopoulos, Cheng Yang, Mallikarjunarao Ganesana, Ying Wang, B. Jill Venton
DOI: 10.1039/C6AN01469K
Correction: Resonance Raman spectroscopy as an in situ probe for monitoring catalytic events in a Ru-porphyrin mediated amination reaction
Paolo Zardi, Emma Gallo, Gregory A. Solan, Andrew J. Hudson
DOI: 10.1039/C6AN90078J
您可能还喜欢
十二烷基磺酸钠(CAS号:2386-53-0)的主要用途是什么?
十二烷基磺酸钠主要用作表面活性剂,广泛应用于洗涤剂、肥皂、化妆品和工业清洁产品中。它能有效去除油脂和污垢,常用于制造洗发水、沐浴露、洗衣粉和金属清洗剂。此外,它...
5-羟基异喹啉(CAS号:2439-04-5)适用哪些法规指南?
5-羟基异喹啉作为化学品,主要适用的法规包括GHS全球化学品统一分类和标签制度,REACH法规等。GHS将5-羟基异喹啉分类为皮肤腐蚀/刺激类别2,严重眼损伤/...
在合成中是否有FIDAS-5 | Wnt(CAS号:1391934-98-7)的替代品?
合成中可以考虑使用类似结构的化合物,如4-[(E)-2-(2-氯-6-氟苯基)乙烯基]-N-甲基苯胺的类似物或衍生物作为替代品。这类化合物可能具有相似的生物活性...
(R)-tert-Butyl 2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate(CAS号:1370600-56-8)通常如何合成?
该化合物通常通过如下步骤合成:首先,将4-溴-1H-咪唑与对甲苯磺酸在乙酸乙酯中反应,得到中间体5-溴-1H-咪唑-2-甲酸乙酯。然后,该中间体与2-甲基-2-...
处理4-(吡咯烷-1-基)环己酮(CAS号:10421-18-8)时应注意哪些实验室安全事项?
处理4-(吡咯烷-1-基)环己酮时,应佩戴手套、护目镜和实验室外套,以防止直接接触或吸入。在通风橱中操作,确保良好的通风条件。一旦发生泄漏,应立即清理并使用适当...
如何处理含有异麦芽糖醇(CAS号:534-73-6)的废料?
含有异麦芽糖醇的废液应首先进行分类收集,避免与其他化学品混合。对于小规模的废液,可以通过焚烧或加入特定的化学试剂进行无害化处理。对于大规模的废液,建议联系专业的...
7-甲基壬酸(CAS号:41653-89-8)的主要用途是什么?
7-甲基壬酸主要用于有机合成领域,作为合成其他化合物的原料。此外,它还可能作为一种中间体用于药品制造和香料合成,但具体用途需要根据其具体的化学结构和反应特性来确...
N-甲氧基-N-甲基甲基吡啶羧酰胺(CAS号:148493-07-6)应用于哪些行业?
N-甲氧基-N-甲基甲基吡啶羧酰胺在医药领域有一定的应用,作为一种潜在的药物前体或中间体。此外,该化合物也可能应用于聚合物改性剂、传感器材料等。由于其独特的化学...
什么是惕各酸香叶酯(CAS号:7785-33-3)?
惕各酸香叶酯是一种化合物,化学名称为(2E)-3,7-二甲基-2,6-辛二烯-1-基(2E)-2-甲基-2-丁烯酸酯。它是一种具有香叶香气的化合物,分子式为C1...
1-环丁基哌嗪(CAS号:132800-13-6)安全吗?
1-环丁基哌嗪在适当的操作条件下是相对安全的,但如遇明火或高热会释放有毒气体。操作时应佩戴防护眼镜和手套,避免吸入或接触皮肤、眼睛。
来源期刊
Physical Chemistry Chemical Physics

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.













![4-[2-(3,4-Dihydro-2H-chromen-6-yl)-1,3-oxazol-5-yl]-1-(3-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}benzyl)pyridinium bromide structure 4-[2-(3,4-Dihydro-2H-chromen-6-yl)-1,3-oxazol-5-yl]-1-(3-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}benzyl)pyridinium bromide structure](https://cnstatic.chemtradehub.com/structs/155/155863-03-9-8183.webp)
![Methyl 5-iodo-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-thiophenecarboxylate structure Methyl 5-iodo-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-thiophenecarboxylate structure](https://cnstatic.chemtradehub.com/structs/100/1007171-35-8-177e.webp)