Dirac fermions in silicene on Pb(111) surface
文献信息
Agata Podsiadły-Paszkowska, Mariusz Krawiec
First-principles density functional theory calculations of silicene deposited on a Pb(111) surface are reported. Several possible silicene superstructures, exhibiting different scanning tunnelling microscopy topography images have been found. All the structures feature low binding energy and very small charge transfer, thus interact weakly with the substrate. As a result linear band dispersion around the K points of the Brillouin zone survives and the bands have mainly 3p character of silicene with very little contribution of the 6p states of Pb. The present study suggests that lead can be the best candidate to host silicene among other metal substrates.
相关文献
Insights into collective cell behaviour from populations of coupled chemical oscillators
Annette F. Taylor, Mark R. Tinsley, Kenneth Showalter
DOI: 10.1039/C5CP01964H
Conformational preferences of monohydrated clusters of imidazole derivatives revisited
Aditi Bhattacherjee, Sanjay Wategaonkar
DOI: 10.1039/C5CP02422F
Possible interstellar formation of glycine through a concerted mechanism: a computational study on the reaction of CH2NH, CO2 and H2
Zanele P. Nhlabatsi, Priya Bhasi, Sanyasi Sitha
DOI: 10.1039/C5CP07124K
Is formamide a geochemically plausible prebiotic solvent?
Jeffrey L. Bada, John H. Chalmers
DOI: 10.1039/C6CP03290G
Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies
Sumit Kumar Panja, Nidhi Dwivedi, Satyen Saha
DOI: 10.1039/C6CP03797F
Solvent effects on static polarizability, static first hyperpolarizability and one- and two-photon absorption properties of functionalized triply twisted Möbius annulenes: a DFT study
Md Mehboob Alam, Varun Kundi, Pompozhi Protasis Thankachan
DOI: 10.1039/C6CP02732F
Determining adsorbate configuration on alumina surfaces with 13C nuclear magnetic resonance relaxation time analysis
P. A. Vecino, Z. Huang, J. Mitchell, J. McGregor, H. Daly, C. Hardacre, J. M. Thomson, L. F. Gladden
DOI: 10.1039/C5CP02436F
Molecular pillar supported graphene oxide framework: conformational heterogeneity and tunable d-spacing
Harshal P. Mungse, Raghuvir Singh, Hiroyuki Sugimura, N. Kumar, Om P. Khatri
DOI: 10.1039/C5CP02313K
Tunable dipole induced hydrogen bonds between a hydrogen molecule and alkali halides
Bolong Huang, Jianfu Li, Zhenyi Jiang, Bo Wang, Zhigang Wang, Rui-Qin Zhang
DOI: 10.1039/C5CP02598B
Broadband two dimensional infrared spectroscopy of cyclic amide 2-Pyrrolidinone
DOI: 10.1039/C5CP04272K
您可能还喜欢
4-[4-三氟甲基苯基]恶唑(CAS号:1126636-40-5)通常如何合成?
4-[4-三氟甲基苯基]恶唑通常通过将4-三氟甲基苯酚与异硫氰酸苯酯在有机溶剂中进行酯化反应合成。该反应可在无水条件下,使用适当的催化剂,如四丁基氢氧化铵,以提...
RockPhos Pd G3(CAS号:2009020-38-4)通常如何合成?
RockPhos Pd G3 通常通过钯催化偶联反应合成,使用配体 (2'-Amino-2-biphenylyl)(methanesulfonato-kappa...
1-哌啶甲酰胺(CAS号:2158-03-4)的市场或研究趋势如何?
1-哌啶甲酰胺作为有机合成中的重要中间体,其市场需求主要受医药、农药、染料等行业推动。近年来,随着新药开发和绿色化学的发展,该化合物的研究趋势集中在开发更高效、...
2-(二苯基膦基)乙胺(CAS号:4848-43-5)适用哪些法规指南?
2-(二苯基膦基)乙胺适用于多种法规指南,包括但不限于《全球化学品统一分类和标签制度》(GHS),欧盟《化学品注册、评估、授权和限制》法规(REACH),以及美...
如何储存间苯二甲酸二烯丙酯(CAS号:1087-21-4)?
间苯二甲酸二烯丙酯应储存在阴凉、干燥、通风良好的地方,远离火源和热源。储存容器应密封,避免光照和高温。储存温度应控制在25℃以下,相对湿度应低于80%。避免与其...
什么是间甲苯异硫代异氰酸酯(CAS号:621-30-7)?
间甲苯异硫代异氰酸酯是一种有机化合物,分子式为C7H7NO2S,具有刺激性气味。它是一种重要的有机合成中间体,在合成其他化合物时广泛应用。
在合成中是否有N-Boc-D-苯丙氨醇(CAS号:106454-69-7)的替代品?
在合成中,可以考虑使用N-Cbz-D-苯丙氨醇或N-Fmoc-D-苯丙氨醇作为替代品。这些化合物同样具有保护氨基的功能,且在合成过程中表现出良好的反应性能。
3-羟甲基-2-氧异丙基吡啶(CAS号:954240-50-7)的主要用途是什么?
3-羟甲基-2-氧异丙基吡啶主要用于有机合成领域,可以作为合成其他药物、农药或精细化学品的中间体。此外,它还可能在实验室研究中作为特定反应的前体或溶剂。
6-氨基-9-甲基嘌呤(CAS号:700-00-5)应用于哪些行业?
6-氨基-9-甲基嘌呤目前主要应用于医药行业,作为某些药物的中间体。此外,它还可能用于聚合物、传感器和半导体的某些领域,作为功能性单体或掺杂剂。
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.











![2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (1:1) structure 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (1:1) structure](https://cnstatic.chemtradehub.com/structs/253/25332-39-2-496e.webp)


