Boron nitride zigzag nanoribbons: optimal thermoelectric systems
文献信息
Conventional and spin related thermoelectric effects in zigzag boron nitride nanoribbons are studied theoretically within the Density Functional Theory (DFT) approach. Nanoribbons with edges passivated with hydrogen, as well as those with bare edges are analyzed. It is shown that one spin channel in the nanoribbons of 0HB–0HN and 2HB–1HN types becomes nonconductive slightly above the Fermi level, and therefore such nanoribbons reveal remarkable spin related thermoelectric phenomena and are promising materials for thermoelectric nanodevices. Thermoelectricity in BN nanoribbons of other types is less efficient and therefore these materials are less interesting for applications.
期刊推荐

Journal of Organometallic Chemistry

Planta Medica

Kinetics and Catalysis

Organic Preparations and Procedures International

Helvetica Chimica Acta

Journal of Heterocyclic Chemistry

Proceedings of the National Academy of Sciences of the United States of America

Russian Chemical Reviews

Molecular Pharmacology

Journal of Medicinal Chemistry
相关文献
Synthesis of a dimer of the repeating unit of type Ia group B Streptococcus extracellular capsular polysaccharide and immunological evaluations of related protein conjugates
Deying Yang, Zhongqiu Liu
DOI: 10.1039/C9QO00486F
Hybrid isoquinolines from Thalictrum foetidum: a new type of aporphine inhibiting Staphylococcus aureus by combined mechanisms
Rong-Ping Zhang, Jing Yang, Xu-Jie Qin, Zhi Dai, Ya-Ping Liu, Qiu-Min Lu, Ren Lai
DOI: 10.1039/C9QO00737G
Guest-length driven high fidelity self-sorting in supramolecular capsule formation of calix[5]arenes in water
Ilenia Pisagatti, Lucia Barbera, Giuseppe Gattuso, Melchiorre F. Parisi, Silvano Geremia, Neal Hickey, Anna Notti
DOI: 10.1039/C9QO01188A
Asymmetric domino 1,6-addition/annulation reaction of 3-cyano-4-alkenyl-2H-chromen-2-ones with isatin-derived MBH carbonates: enantioselective synthesis of 3,3′-cyclopentenylspirooxindoles bearing 2H-chromen-2-ones
Zhen-Hua Wang, Chuan-Wen Lei, Xia-Yan Zhang, Yong You, Jian-Qiang Zhao
DOI: 10.1039/C9QO00890J
Mechanistic insights for the transprotection of tertiary amines with Boc2O via charged carbamates: access to both enantiomers of 2-azanorbornane-3-exo-carboxylic acids
Ivo E. Sampaio-Dias, Sara C. Silva-Reis, Luís Pinto da Silva, Xerardo García-Mera, Miguel A. Maestro, José E. Rodríguez-Borges
DOI: 10.1039/C9QO00957D
Synthesis of tri-substituted allyl alcohols via a copper/iron co-catalyzed cascade perfluoroalkylation/rearrangement of aryl propynyl ethers
Wei He, Jipan Yu, Dawei Wang, Guoxia Ran, Xiao-Feng Xia
DOI: 10.1039/C9QO00848A
A controlled blue-shift in meso-nitrogen aryl fused DIPY and BODIPY skeletons
Marco Farinone, Joanna Cybińska, Miłosz Pawlicki
DOI: 10.1039/C9QO00294D
More than a CO source: palladium-catalyzed carbonylative synthesis of butenolides from propargyl alcohols and TFBen
Zhengjie Le, Jun Ying
DOI: 10.1039/C9QO00779B
DMF/NaOH/H2O: a metal-free system for efficient and chemoselective reduction of α-ketoamides
Rongcong Ye, Feiyue Hao, Guyue Liu, Qingsong Zuo, Lijun Deng, Zhengneng Jin, Jiashou Wu
DOI: 10.1039/C9QO00842J
Constructing bridged multifunctional calixarenes by intramolecular indole coupling
Boris Bolshchikov, Sergey Volkov, Daria Sokolova, Alexander Gorbunov, Alina Serebryannikova, Igor Gloriozov, Dmitry Cheshkov, Stanislav Bezzubov, Wen-Sheng Chung, Vladimir Kovalev, Ivan Vatsouro
DOI: 10.1039/C9QO00859D
您可能还喜欢
(3-氨苯基)环丙基甲酮(CAS号:162174-75-6)的主要用途是什么?
(3-氨苯基)环丙基甲酮主要用于合成化学中间体,特别是在药物化学领域作为原料。它还可以用于有机合成反应中,作为催化剂或反应物。
如何储存亚胺菌(CAS号:136470-79-6)?
亚胺菌应储存在干燥、阴凉处,避免直接暴露于光线下。建议使用密封容器储存,防止吸潮和污染。具体的储存条件应参考产品的安全数据表(MSDS)或药品说明书。
2-氯-2,2-二氟乙酰胺(CAS号:354-28-9)应用于哪些行业?
2-氯-2,2-二氟乙酰胺在医药、聚合物、传感器、半导体等领域有广泛应用。在医药领域,它作为中间体用于合成其他药物;在聚合物领域,用作聚合引发剂或稳定剂;在传感...
处理4-甲基-3-硝基-1,1-联苯(CAS号:53812-68-3)时应注意哪些实验室安全事项?
在处理4-甲基-3-硝基-1,1-联苯时,应佩戴手套、护目镜和实验室外套等个人防护装备(PPE),确保在通风橱中操作以减少吸入风险。若发生泄露,应立即使用沙子或...
(2S)-羟基(苯基)乙酸 (2R)-N-苄基-1-(4-甲氧基苯基)丙-2-胺盐(CAS号:188690-84-8)应用于哪些行业?
该化合物广泛应用于医药、聚合物和半导体行业。在医药领域,它是某些药物中间体的重要组成部分;在聚合物领域,可用作增塑剂;在半导体行业,可用于制造光刻胶。
在合成中是否有芬苯哒唑砜-D3标准品(CAS号:1228182-49-7)的替代品?
芬苯哒唑砜-D3标准品的替代品可能包括类似的苯并咪唑类化合物,如芬苯哒唑本身或其非同位素标记版本。这些替代品在结构上与芬苯哒唑砜-D3相似,但在具体应用中需进行...
2-氟-4-硝基苯乙酸(CAS号:315228-19-4)通常如何合成?
2-氟-4-硝基苯乙酸可以通过一系列化学反应合成,通常是从4-氟苯胺开始,首先进行硝化反应生成4-氟-2-硝基苯胺,然后进行乙酰化反应得到目标产物。具体的合成步...
2-氟-4-甲氧基苯乙酸(CAS号:883531-28-0)通常如何合成?
2-氟-4-甲氧基苯乙酸通常通过将4-甲氧基苯乙酸与氟化试剂(如氟化氰)反应来合成。反应通常在无水条件下进行,使用催化剂如六氟磷酸锂或四氟硼酸锂以提高选择性和产...
什么是4SC 202;4SC202(CAS号:1186222-89-8)?
4SC 202;4SC202是一种化学化合物,其化学名称为(2E)-N-(2-氨基苯基)-3-(1-{[4-(1-甲基-1H-吡唑-4-基)苯基]磺酰基}-1H...
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.
![1H-Imidazo[4,5-c]pyridine-7-carboxylic acid structure 1H-Imidazo[4,5-c]pyridine-7-carboxylic acid structure](https://cnstatic.chemtradehub.com/structs/123/1234616-39-7-1344.webp)



![(1R,6R)-6-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-cyclohexene-1-carboxylic acid structure (1R,6R)-6-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-cyclohexene-1-carboxylic acid structure](https://cnstatic.chemtradehub.com/structs/865/865689-24-3-5fef.webp)