How does the electric current propagate through fully-hydrogenated borophene?
文献信息
Jutao Jiao, Yusheng Hou, Hui Wang, Dapeng Wu, Tianxing Wang, Zhaoming Fu, Guoliang Xu, Ruqian Wu
We study the electronic transport properties of two-dimensional (2D) fully-hydrogenated borophene (namely, borophane), using density functional theory and non-equilibrium Green's function approaches. Borophane shows a perfect electrical transport anisotropy and is promising for applications. Along the peak- or equivalently the valley-parallel direction, 2D borophane exhibits a metallic characteristic and its current–voltage (I–V) curve shows a linear behavior, corresponding to the ON state in borophane-based nano-switches. In this case, electrons mainly propagate via the B–B bonds along the linear boron chains. In contrast, electron transmission is almost forbidden along the perpendicular buckled direction (i.e., the OFF state), due to its semi-conductor property. Our work demonstrates that 2D borophane could combine metal and semiconductor features and may be a promising candidate for nano-switching materials with a stable structure and high ON/OFF ratio.
相关文献
Theoretical prediction of LiScO2 nanosheets as a cathode material for Li–O2 batteries
Zhixiao Liu, Shiguo Zhang, Wangyu Hu
DOI: 10.1039/C8CP01756E
How does the electric current propagate through fully-hydrogenated borophene?
Jutao Jiao, Yusheng Hou, Hui Wang, Dapeng Wu, Tianxing Wang, Zhaoming Fu, Guoliang Xu, Ruqian Wu
DOI: 10.1039/C8CP04272A
Charge polarization in partially lithiated single-walled carbon nanotubes
A. A. Makarova
DOI: 10.1039/C8CP01510D
Atomistic reverse nonequilibrium molecular dynamics simulation of the viscosity of ionic liquid 1-n-butyl 3-methylimidazolium bis(trifluoromethylsulfonyl)imide [bmim][Tf2N]
Rouhollah Safinejad, Nargess Mehdipour, Hossein Eslami
DOI: 10.1039/C8CP02393J
Water-mediated curvature change in graphene by single-walled carbon nanotubes
Hrushikesh M. Gade, Piyush P. Wanjari, Srihas V. V. Velpuri
DOI: 10.1039/C8CP02394H
Adsorption, surface relaxation and electrolyte structure at Pt(111) electrodes in non-aqueous and aqueous acetonitrile electrolytes
Gary S. Harlow, Iain M. Aldous, Yvonne Gründer, Laurence J. Hardwick, Christopher A. Lucas
DOI: 10.1039/C9CP00499H
Reply to the ‘Comment on “Negative effective Li transference numbers in Li salt/ionic liquid mixtures: does Li drift in the “Wrong” direction?”’ by K. R. Harris, Phys. Chem. Chem. Phys., 2018, 20, DOI: 10.1039/C8CP02595A
Monika Schönhoff, Cornelia Cramer, Florian Schmidt
DOI: 10.1039/C8CP06075D
Self-adaptive multiscaling algorithm for efficient simulations of many-protein systems in crowded conditions
DOI: 10.1039/C8CP05517C
Distribution of water in the pores of periodic mesoporous organosilicates – a proton solid state MAS NMR study
V. S. Veena, Kavya Illath, Anish Lazar, C. P. Vinod, T. G. Ajithkumar, S. Jayanthi
DOI: 10.1039/C8CP04902E
Nature of cucurbituril–halogen encapsulation. Structural and interaction energy consideration in the X2@CB[n] (X = Cl, Br, I, n = 6, 7, 8) from relativistic DFT calculations
Carolina Olea Ulloa, Miguel Ponce-Vargas, Alvaro Muñoz-Castro
DOI: 10.1039/C8CP04936J
您可能还喜欢
如何储存1,2-环己二酮环乙缩醛(CAS号:4746-96-7)?
1,2-环己二酮环乙缩醛应储存在阴凉、干燥、通风良好的地方,避免阳光直射。建议使用密封容器保存,并保持环境温度在室温范围内,远离火源和热源。
Ecopladib(CAS号:381683-92-7)的市场或研究趋势如何?
Ecopladib作为一种新型的药物,主要应用于治疗高胆固醇等疾病。目前,市场和研究趋势显示,Ecopladib因其独特的药理作用而受到关注。随着对心血管疾病治...
2,3-Dimethyl-3H-imidazo[4,5-c]pyridine(CAS号:52538-09-7)通常如何合成?
2,3-二甲基-3H-咪唑[4,5-c]吡啶通常通过咪唑和2,3-二甲基吡啶的缩合反应合成。具体来说,将咪唑和2,3-二甲基吡啶在适当的溶剂中进行加热或加压反应...
2,3,4,5-tetrahydro-1H-3-苯并氮杂环;盐酸盐(CAS号:17379-01-0)的市场或研究趋势如何?
该化合物在药物化学和有机合成中有一定的应用。近年来,随着对新型药物化合物的需求增加,该化合物的研究趋势主要集中在探索其生物活性,尤其是其在神经系统疾病治疗中的潜...
如何储存盐酸甘氨酸丁酯(CAS号:13048-99-2)?
盐酸甘氨酸丁酯应储存在阴凉、干燥、通风良好的地方,避免阳光直射和高温环境,温度应控制在25℃以下。储存容器应密封,避免与空气中的水分和酸性物质接触,以防发生水解...
什么是2-Iodo-N,N-dimethylbenzamide(CAS号:54616-46-5)?
2-碘-N,N-二甲基苯胺是一种有机化合物,化学名为2-Iodo-N,N-dimethylbenzamide。其分子式为C<sub>9</sub>H<sub>1...
5-溴-2-(4H-1,2,4-三唑-4-基)吡啶(CAS号:959240-99-4)的市场或研究趋势如何?
随着医药、农药和新材料领域的发展,该化合物作为关键中间体的应用日益增多。特别是在药物合成中,由于其独特的化学性质,可以用于合成多种药物分子。未来的研究趋势可能集...
2,4-二溴-6-三氟甲基嘧啶(CAS号:785778-00-9)通常如何合成?
2,4-二溴-6-三氟甲基嘧啶通常通过溴化反应合成。首先,将6-三氟甲基嘧啶与溴化剂(如液溴)在适当的溶剂(如二氯甲烷、四氢呋喃)中反应,加入适当的催化剂(如四...
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.











![(2E)-3-(3-Chlorophenyl)-N-{2-[4-(methylsulfonyl)-1-piperazinyl]-2-oxoethyl}acrylamide structure (2E)-3-(3-Chlorophenyl)-N-{2-[4-(methylsulfonyl)-1-piperazinyl]-2-oxoethyl}acrylamide structure](https://cnstatic.chemtradehub.com/structs/250/2505001-54-5-c1e9.webp)


