Sample records for two-dimensional carbon material

  1. Preparing two-dimensional microporous carbon from Pistachio nutshell with high areal capacitance as supercapacitor materials (United States)

    Xu, Jiandong; Gao, Qiuming; Zhang, Yunlu; Tan, Yanli; Tian, Weiqian; Zhu, Lihua; Jiang, Lei


    Two-dimensional (2D) porous carbon AC-SPN-3 possessing of amazing high micropore volume ratio of 83% and large surface area of about 1069 m2 g-1 is high-yield obtained by pyrolysis of natural waste Pistachio nutshells with KOH activation. The AC-SPN-3 has a curved 2D lamellar morphology with the thickness of each slice about 200 nm. The porous carbon is consists of highly interconnected uniform pores with the median pore diameter of about 0.76 nm, which could potentially improve the performance by maximizing the electrode surface area accessible to the typical electrolyte ions (such as TEA+, diameter = ~0.68 nm). Electrochemical analyses show that AC-SPN-3 has significantly large areal capacitance of 29.3/20.1 μF cm-2 and high energy density of 10/39 Wh kg-1 at power of 52/286 kW kg-1 in 6 M KOH aqueous electrolyte and 1 M TEABF4 in EC-DEC (1:1) organic electrolyte system, respectively.

  2. Piezoelectricity in Two-Dimensional Materials

    KAUST Repository

    Wu, Tao


    Powering up 2D materials: Recent experimental studies confirmed the existence of piezoelectricity - the conversion of mechanical stress into electricity - in two-dimensional single-layer MoS2 nanosheets. The results represent a milestone towards embedding low-dimensional materials into future disruptive technologies. © 2015 Wiley-VCH Verlag GmbH & Co. KGaA.

  3. Electronics based on two-dimensional materials. (United States)

    Fiori, Gianluca; Bonaccorso, Francesco; Iannaccone, Giuseppe; Palacios, Tomás; Neumaier, Daniel; Seabaugh, Alan; Banerjee, Sanjay K; Colombo, Luigi


    The compelling demand for higher performance and lower power consumption in electronic systems is the main driving force of the electronics industry's quest for devices and/or architectures based on new materials. Here, we provide a review of electronic devices based on two-dimensional materials, outlining their potential as a technological option beyond scaled complementary metal-oxide-semiconductor switches. We focus on the performance limits and advantages of these materials and associated technologies, when exploited for both digital and analog applications, focusing on the main figures of merit needed to meet industry requirements. We also discuss the use of two-dimensional materials as an enabling factor for flexible electronics and provide our perspectives on future developments.

  4. Local doping of two-dimensional materials (United States)

    Wong, Dillon; Velasco, Jr, Jairo; Ju, Long; Kahn, Salman; Lee, Juwon; Germany, Chad E.; Zettl, Alexander K.; Wang, Feng; Crommie, Michael F.


    This disclosure provides systems, methods, and apparatus related to locally doping two-dimensional (2D) materials. In one aspect, an assembly including a substrate, a first insulator disposed on the substrate, a second insulator disposed on the first insulator, and a 2D material disposed on the second insulator is formed. A first voltage is applied between the 2D material and the substrate. With the first voltage applied between the 2D material and the substrate, a second voltage is applied between the 2D material and a probe positioned proximate the 2D material. The second voltage between the 2D material and the probe is removed. The first voltage between the 2D material and the substrate is removed. A portion of the 2D material proximate the probe when the second voltage was applied has a different electron density compared to a remainder of the 2D material.

  5. Phonon hydrodynamics in two-dimensional materials. (United States)

    Cepellotti, Andrea; Fugallo, Giorgia; Paulatto, Lorenzo; Lazzeri, Michele; Mauri, Francesco; Marzari, Nicola


    The conduction of heat in two dimensions displays a wealth of fascinating phenomena of key relevance to the scientific understanding and technological applications of graphene and related materials. Here, we use density-functional perturbation theory and an exact, variational solution of the Boltzmann transport equation to study fully from first-principles phonon transport and heat conductivity in graphene, boron nitride, molybdenum disulphide and the functionalized derivatives graphane and fluorographene. In all these materials, and at variance with typical three-dimensional solids, normal processes keep dominating over Umklapp scattering well-above cryogenic conditions, extending to room temperature and more. As a result, novel regimes emerge, with Poiseuille and Ziman hydrodynamics, hitherto typically confined to ultra-low temperatures, characterizing transport at ordinary conditions. Most remarkably, several of these two-dimensional materials admit wave-like heat diffusion, with second sound present at room temperature and above in graphene, boron nitride and graphane.

  6. Photodetectors based on two dimensional materials (United States)

    Zheng, Lou; Zhongzhu, Liang; Guozhen, Shen


    Two-dimensional (2D) materials with unique properties have received a great deal of attention in recent years. This family of materials has rapidly established themselves as intriguing building blocks for versatile nanoelectronic devices that offer promising potential for use in next generation optoelectronics, such as photodetectors. Furthermore, their optoelectronic performance can be adjusted by varying the number of layers. They have demonstrated excellent light absorption, enabling ultrafast and ultrasensitive detection of light in photodetectors, especially in their single-layer structure. Moreover, due to their atomic thickness, outstanding mechanical flexibility, and large breaking strength, these materials have been of great interest for use in flexible devices and strain engineering. Toward that end, several kinds of photodetectors based on 2D materials have been reported. Here, we present a review of the state-of-the-art in photodetectors based on graphene and other 2D materials, such as the graphene, transition metal dichalcogenides, and so on. Project supported by the National Natural Science Foundation of China (Nos. 61377033, 61574132, 61504136) and the State Key Laboratory of Applied Optics, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences.

  7. Radiation effects on two-dimensional materials

    Energy Technology Data Exchange (ETDEWEB)

    Walker, R.C. II; Robinson, J.A. [Department of Materials Science, Penn State, University Park, PA (United States); Center for Two-Dimensional Layered Materials, Penn State, University Park, PA (United States); Shi, T. [Department of Mechanical and Nuclear Engineering, Penn State, University Park, PA (United States); Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, MI (United States); Silva, E.C. [GlobalFoundries, Malta, NY (United States); Jovanovic, I. [Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, MI (United States)


    The effects of electromagnetic and particle irradiation on two-dimensional materials (2DMs) are discussed in this review. Radiation creates defects that impact the structure and electronic performance of materials. Determining the impact of these defects is important for developing 2DM-based devices for use in high-radiation environments, such as space or nuclear reactors. As such, most experimental studies have been focused on determining total ionizing dose damage to 2DMs and devices. Total dose experiments using X-rays, gamma rays, electrons, protons, and heavy ions are summarized in this review. We briefly discuss the possibility of investigating single event effects in 2DMs based on initial ion beam irradiation experiments and the development of 2DM-based integrated circuits. Additionally, beneficial uses of irradiation such as ion implantation to dope materials or electron-beam and helium-beam etching to shape materials have begun to be used on 2DMs and are reviewed as well. For non-ionizing radiation, such as low-energy photons, we review the literature on 2DM-based photo-detection from terahertz to UV. The majority of photo-detecting devices operate in the visible and UV range, and for this reason they are the focus of this review. However, we review the progress in developing 2DMs for detecting infrared and terahertz radiation. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. Molecular assembly on two-dimensional materials (United States)

    Kumar, Avijit; Banerjee, Kaustuv; Liljeroth, Peter


    Molecular self-assembly is a well-known technique to create highly functional nanostructures on surfaces. Self-assembly on two-dimensional (2D) materials is a developing field driven by the interest in functionalization of 2D materials in order to tune their electronic properties. This has resulted in the discovery of several rich and interesting phenomena. Here, we review this progress with an emphasis on the electronic properties of the adsorbates and the substrate in well-defined systems, as unveiled by scanning tunneling microscopy. The review covers three aspects of the self-assembly. The first one focuses on non-covalent self-assembly dealing with site-selectivity due to inherent moiré pattern present on 2D materials grown on substrates. We also see that modification of intermolecular interactions and molecule–substrate interactions influences the assembly drastically and that 2D materials can also be used as a platform to carry out covalent and metal-coordinated assembly. The second part deals with the electronic properties of molecules adsorbed on 2D materials. By virtue of being inert and possessing low density of states near the Fermi level, 2D materials decouple molecules electronically from the underlying metal substrate and allow high-resolution spectroscopy and imaging of molecular orbitals. The moiré pattern on the 2D materials causes site-selective gating and charging of molecules in some cases. The last section covers the effects of self-assembled, acceptor and donor type, organic molecules on the electronic properties of graphene as revealed by spectroscopy and electrical transport measurements. Non-covalent functionalization of 2D materials has already been applied for their application as catalysts and sensors. With the current surge of activity on building van der Waals heterostructures from atomically thin crystals, molecular self-assembly has the potential to add an extra level of flexibility and functionality for applications ranging

  9. Two-dimensional materials and their prospects in transistor electronics. (United States)

    Schwierz, F; Pezoldt, J; Granzner, R


    During the past decade, two-dimensional materials have attracted incredible interest from the electronic device community. The first two-dimensional material studied in detail was graphene and, since 2007, it has intensively been explored as a material for electronic devices, in particular, transistors. While graphene transistors are still on the agenda, researchers have extended their work to two-dimensional materials beyond graphene and the number of two-dimensional materials under examination has literally exploded recently. Meanwhile several hundreds of different two-dimensional materials are known, a substantial part of them is considered useful for transistors, and experimental transistors with channels of different two-dimensional materials have been demonstrated. In spite of the rapid progress in the field, the prospects of two-dimensional transistors still remain vague and optimistic opinions face rather reserved assessments. The intention of the present paper is to shed more light on the merits and drawbacks of two-dimensional materials for transistor electronics and to add a few more facets to the ongoing discussion on the prospects of two-dimensional transistors. To this end, we compose a wish list of properties for a good transistor channel material and examine to what extent the two-dimensional materials fulfill the criteria of the list. The state-of-the-art two-dimensional transistors are reviewed and a balanced view of both the pros and cons of these devices is provided.

  10. Materials synthesis: Two-dimensional gallium nitride (United States)

    Koratkar, Nikhil A.


    Graphene is used as a capping sheet to synthesize 2D gallium nitride by means of migration-enhanced encapsulation growth. This technique may allow the stabilization of 2D materials that are not amenable to synthesis by traditional methods.

  11. Ionic solutions of two-dimensional materials (United States)

    Cullen, Patrick L.; Cox, Kathleen M.; Bin Subhan, Mohammed K.; Picco, Loren; Payton, Oliver D.; Buckley, David J.; Miller, Thomas S.; Hodge, Stephen A.; Skipper, Neal T.; Tileli, Vasiliki; Howard, Christopher A.


    Strategies for forming liquid dispersions of nanomaterials typically focus on retarding reaggregation, for example via surface modification, as opposed to promoting the thermodynamically driven dissolution common for molecule-sized species. Here we demonstrate the true dissolution of a wide range of important 2D nanomaterials by forming layered material salts that spontaneously dissolve in polar solvents yielding ionic solutions. The benign dissolution advantageously maintains the morphology of the starting material, is stable against reaggregation and can achieve solutions containing exclusively individualized monolayers. Importantly, the charge on the anionic nanosheet solutes is reversible, enables targeted deposition over large areas via electroplating and can initiate novel self-assembly upon drying. Our findings thus reveal a unique solution-like behaviour for 2D materials that enables their scalable production and controlled manipulation.

  12. Two-Dimensional Materials for Sensing: Graphene and Beyond

    Directory of Open Access Journals (Sweden)

    Seba Sara Varghese


    Full Text Available Two-dimensional materials have attracted great scientific attention due to their unusual and fascinating properties for use in electronics, spintronics, photovoltaics, medicine, composites, etc. Graphene, transition metal dichalcogenides such as MoS2, phosphorene, etc., which belong to the family of two-dimensional materials, have shown great promise for gas sensing applications due to their high surface-to-volume ratio, low noise and sensitivity of electronic properties to the changes in the surroundings. Two-dimensional nanostructured semiconducting metal oxide based gas sensors have also been recognized as successful gas detection devices. This review aims to provide the latest advancements in the field of gas sensors based on various two-dimensional materials with the main focus on sensor performance metrics such as sensitivity, specificity, detection limit, response time, and reversibility. Both experimental and theoretical studies on the gas sensing properties of graphene and other two-dimensional materials beyond graphene are also discussed. The article concludes with the current challenges and future prospects for two-dimensional materials in gas sensor applications.

  13. Optical modulators with two-dimensional layered materials

    CERN Document Server

    Sun, Zhipei; Wang, Feng


    Light modulation is an essential operation in photonics and optoelectronics. With existing and emerging technologies increasingly demanding compact, efficient, fast and broadband optical modulators, high-performance light modulation solutions are becoming indispensable. The recent realization that two-dimensional layered materials could modulate light with superior performance has prompted intense research and significant advances, paving the way for realistic applications. In this review, we cover the state-of-the-art of optical modulators based on two-dimensional layered materials including graphene, transition metal dichalcogenides and black phosphorus. We discuss recent advances employing hybrid structures, such as two-dimensional heterostructures, plasmonic structures, and silicon/fibre integrated structures. We also take a look at future perspectives and discuss the potential of yet relatively unexplored mechanisms such as magneto-optic and acousto-optic modulation.

  14. Two dimensional soft material: new faces of graphene oxide. (United States)

    Kim, Jaemyung; Cote, Laura J; Huang, Jiaxing


    Graphite oxide sheets, now called graphene oxide (GO), can be made from chemical exfoliation of graphite by reactions that have been known for 150 years. Because GO is a promising solution-processable precursor for the bulk production of graphene, interest in this old material has resurged. The reactions to produce GO add oxygenated functional groups to the graphene sheets on their basal plane and edges, and this derivatization breaks the π-conjugated network, resulting in electrically insulating but highly water-dispersible sheets. Apart from making graphene, GO itself has many intriguing properties. Like graphene, GO is a two-dimensional (2D) sheet with feature sizes at two abruptly different length scales. The apparent thickness of the functionalized carbon sheet is approximately 1 nm, but the lateral dimensions can range from a few nanometers to hundreds of micrometers. Therefore, researchers can think of GO as either a single molecule or a particle, depending on which length scale is of greater interest. At the same time, GO can be viewed as an unconventional soft material, such as a 2D polymer, highly anisotropic colloid, membrane, liquid crystal, or amphiphile. In this Account, we highlight the soft material characteristics of GO. GO consists of nanographitic patches surrounded by largely disordered, oxygenated domains. Such structural characteristics effectively make GO a 2D amphiphile with a hydrophilic periphery and largely hydrophobic center. This insight has led to better understanding of the solution properties of GO for making thin films and new applications of GO as a surfactant. Changes in pH and sheet size can tune the amphiphilicity of GO, leading to intriguing interfacial activities. In addition, new all-carbon composites made of only graphitic nanostructures using GO as a dispersing agent have potential applications in photovoltaics and energy storage. On the other hand, GO can function as a 2D random diblock copolymer, one block graphitic and

  15. Two-dimensional carbon fundamental properties, synthesis, characterization, and applications

    CERN Document Server

    Yihong, Wu; Ting, Yu


    After a brief introduction to the fundamental properties of graphene, this book focuses on synthesis, characterization and application of various types of two-dimensional (2D) nanocarbons ranging from single/few layer graphene to carbon nanowalls and graphene oxides. Three major synthesis techniques are covered: epitaxial growth of graphene on SiC, chemical synthesis of graphene on metal, and chemical vapor deposition of vertically aligned carbon nanosheets or nanowalls. One chapter is dedicated to characterization of 2D nanocarbon using Raman spectroscopy. It provides extensive coverage for a

  16. The Rare Two-Dimensional Materials with Dirac Cones


    Wang, Jinying; Deng, Shibin; Liu, Zhongfan; Liu, Zhirong


    Inspired by the great development of graphene, more and more works have been conducted to seek new two-dimensional (2D) materials with Dirac cones. Although 2D Dirac materials possess many novel properties and physics, they are rare compared with the numerous 2D materials. To provide explanation for the rarity of 2D Dirac materials as well as clues in searching for new Dirac systems, here we review the recent theoretical aspects of various 2D Dirac materials, including graphene, silicene, ger...

  17. Two-dimensional oxides: multifunctional materials for advanced technologies. (United States)

    Pacchioni, Gianfranco


    The last decade has seen spectacular progress in the design, preparation, and characterization down to the atomic scale of oxide ultrathin films of few nanometers thickness grown on a different material. This has paved the way towards several sophisticated applications in advanced technologies. By playing around with the low-dimensionality of the oxide layer, which sometimes leads to truly two-dimensional systems, one can exploit new properties and functionalities that are not present in the corresponding bulk materials or thick films. In this review we provide some clues about the most recent advances in the design of these systems based on modern electronic structure theory and on their preparation and characterization with specifically developed growth techniques and analytical methods. We show how two-dimensional oxides can be used in mature technologies by providing added value to existing materials, or in new technologies based on completely new paradigms. The fields in which two-dimensional oxides are used are classified based on the properties that are exploited, chemical or physical. With respect to chemical properties we discuss use of oxide ultrathin films in catalysis, solid oxide fuel cells, gas sensors, corrosion protection, and biocompatible materials; regarding the physical properties we discuss metal-oxide field effect transistors and memristors, spintronic devices, ferroelectrics and thermoelectrics, and solar energy materials. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Computationally Driven Two-Dimensional Materials Design: What Is Next?

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Jie [Materials Science; Lany, Stephan [Materials Science; Qi, Yue [Department of Chemical Engineering and Materials Science, Michigan State University, East Lansing, Michigan 48824, United States


    Two-dimensional (2D) materials offer many key advantages to innovative applications, such as spintronics and quantum information processing. Theoretical computations have accelerated 2D materials design. In this issue of ACS Nano, Kumar et al. report that ferromagnetism can be achieved in functionalized nitride MXene based on first-principles calculations. Their computational results shed light on a potentially vast group of materials for the realization of 2D magnets. In this Perspective, we briefly summarize the promising properties of 2D materials and the role theory has played in predicting these properties. In addition, we discuss challenges and opportunities to boost the power of computation for the prediction of the 'structure-property-process (synthesizability)' relationship of 2D materials.

  19. Graphene and Two-Dimensional Materials for Optoelectronic Applications

    Directory of Open Access Journals (Sweden)

    Andreas Bablich


    Full Text Available This article reviews optoelectronic devices based on graphene and related two-dimensional (2D materials. The review includes basic considerations of process technology, including demonstrations of 2D heterostructure growth, and comments on the scalability and manufacturability of the growth methods. We then assess the potential of graphene-based transparent conducting electrodes. A major part of the review describes photodetectors based on lateral graphene p-n junctions and Schottky diodes. Finally, the progress in vertical devices made from 2D/3D heterojunctions, as well as all-2D heterostructures is discussed.

  20. Synthesis of two-dimensional materials for beyond graphene devices (United States)

    Zhang, Kehao; Eichfeld, Sarah; Leach, Jacob; Metzger, Bob; Lin, Yu-Chuan; Evans, Keith; Robinson, Joshua A.


    In this paper, we present an overview of the currently employed techniques to synthesize two-dimensional materials, focusing on MoS2 and WSe2, and summarize the progress reported to-date. Here we discuss the importance of controlling reactor geometries to improve film uniformity and quality for MoS2 through a combination of modeling and experimental design. In addition, development of processes scalable to provide wafer scale uniformity is explored using synthesis of WSe2 via metal-organic chemical vapor deposition. Finally, we discuss the impact of each of these processes for TMD synthesis on epitaxial graphene.

  1. Emergent elemental two-dimensional materials beyond graphene (United States)

    Zhang, Yuanbo; Rubio, Angel; Le Lay, Guy


    Two-dimensional (2D) materials may offer the ultimate scaling beyond the 5 nm gate length. The difficulty of reliably opening a band gap in graphene has led to the search for alternative, semiconducting 2D materials. Emerging classes of elemental 2D materials stand out for their compatibility with existing technologies and/or for their diverse, tunable electronic structures. Among this group, black phosphorene has recently shown superior semiconductor performances. Silicene and germanene feature Dirac-type band dispersions, much like graphene. Calculations show that most group IV and group V elements have one or more stable 2D allotropes, with properties potentially suitable for electronic and optoelectronic applications. Here, we review the advances in these fascinating elemental 2D materials and discuss progress and challenges in their applications in future opto- and nano-electronic devices.

  2. Separation of colloidal two dimensional materials by density gradient ultracentrifugation

    Energy Technology Data Exchange (ETDEWEB)

    Kuang, Yun; Song, Sha [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China); Huang, Jinyang, E-mail: [Department of Mathematics, College of Science, Beijing University of Chemical Technology, Beijing 100029 (China); Sun, Xiaoming, E-mail: [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China)


    Two-dimensional (2D) materials have been made through various approaches but obtaining monodispersed simply by synthesis optimization gained little success, which highlighted the need for introducing nanoseparation methods. Density gradient ultracentrifugation method has emerged as a versatile and scalable method for sorting colloidal 2D nanomaterials. Isopycnic separation was applied on thickness-dependent separation of graphene nanosheets. And rate-zonal separation, as a more versatile separation method, demonstrated its capability in sorting nanosheets of chemically modified single layered graphene, layered double hydroxide, and even metallic Ag. Establishing such density gradient ultracentrifugation method not only achieves monodispersed nanosheets and provides new opportunities for investigation on size dependent properties of 2D materials, but also makes the surface modification possible by introducing “reaction zones” during sedimentation of the colloids. - Graphical abstract: Two-dimensional (2D) materials have been made through various approaches but obtaining monodispersed simply by synthesis optimization gained little success, which highlighted the need for introducing nanoseparation methods. Density gradient ultracentrifugation method has emerged as a versatile and scalable method for sorting colloidal 2D nanomaterials according to their size of thickness difference. Establishing such density gradient ultracentrifugation method not only achieves monodispersed nanosheets and provides new opportunities for investigation on size dependent properties of 2D materials, but also makes the surface modification possible by introducing “reaction zones” during sedimentation of the colloids. - Highlights: • Density gradient ultracentrifugation was applied on size separation of 2D material. • Isopycnic separation was applied on separation of low density materials. • Rate-zonal separation was applied on separation of large density materials. • Size

  3. Ab Initio Prediction of Piezoelectricity in Two-Dimensional Materials. (United States)

    Blonsky, Michael N; Zhuang, Houlong L; Singh, Arunima K; Hennig, Richard G


    Two-dimensional (2D) materials present many unique materials concepts, including material properties that sometimes differ dramatically from those of their bulk counterparts. One of these properties, piezoelectricity, is important for micro- and nanoelectromechanical systems applications. Using symmetry analysis, we determine the independent piezoelectric coefficients for four groups of predicted and synthesized 2D materials. We calculate with density-functional perturbation theory the stiffness and piezoelectric tensors of these materials. We determine the in-plane piezoelectric coefficient d11 for 37 materials within the families of 2D metal dichalcogenides, metal oxides, and III-V semiconductor materials. A majority of the structures, including CrSe2, CrTe2, CaO, CdO, ZnO, and InN, have d11 coefficients greater than 5 pm/V, a typical value for bulk piezoelectric materials. Our symmetry analysis shows that buckled 2D materials exhibit an out-of-plane coefficient d31. We find that d31 for 8 III-V semiconductors ranges from 0.02 to 0.6 pm/V. From statistical analysis, we identify correlations between the piezoelectric coefficients and the electronic and structural properties of the 2D materials that elucidate the origin of the piezoelectricity. Among the 37 2D materials, CdO, ZnO, and CrTe2 stand out for their combination of large piezoelectric coefficient and low formation energy and are recommended for experimental exploration.

  4. Photonics and optoelectronics of two-dimensional materials beyond graphene (United States)

    Ponraj, Joice Sophia; Xu, Zai-Quan; Chander Dhanabalan, Sathish; Mu, Haoran; Wang, Yusheng; Yuan, Jian; Li, Pengfei; Thakur, Siddharatha; Ashrafi, Mursal; Mccoubrey, Kenneth; Zhang, Yupeng; Li, Shaojuan; Zhang, Han; Bao, Qiaoliang


    Apart from conventional materials, the study of two-dimensional (2D) materials has emerged as a significant field of study for a variety of applications. Graphene-like 2D materials are important elements of potential optoelectronics applications due to their exceptional electronic and optical properties. The processing of these materials towards the realization of devices has been one of the main motivations for the recent development of photonics and optoelectronics. The recent progress in photonic devices based on graphene-like 2D materials, especially topological insulators (TIs) and transition metal dichalcogenides (TMDs) with the methodology level discussions from the viewpoint of state-of-the-art designs in device geometry and materials are detailed in this review. We have started the article with an overview of the electronic properties and continued by highlighting their linear and nonlinear optical properties. The production of TIs and TMDs by different methods is detailed. The following main applications focused towards device fabrication are elaborated: (1) photodetectors, (2) photovoltaic devices, (3) light-emitting devices, (4) flexible devices and (5) laser applications. The possibility of employing these 2D materials in different fields is also suggested based on their properties in the prospective part. This review will not only greatly complement the detailed knowledge of the device physics of these materials, but also provide contemporary perception for the researchers who wish to consider these materials for various applications by following the path of graphene.

  5. Review—Two-Dimensional Layered Materials for Energy Storage Applications

    KAUST Repository

    Kumar, Pushpendra


    Rechargeable batteries are most important energy storage devices in modern society with the rapid development and increasing demand for handy electronic devices and electric vehicles. The higher surface-to-volume ratio two-dimensional (2D) materials, especially transition metal dichalcogenides (TMDCs) and transition metal carbide/nitrite generally referred as MXene, have attracted intensive research activities due to their fascinating physical/chemical properties with extensive applications. One of the growing applications is to use these 2D materials as potential electrodes for rechargeable batteries and electrochemical capacitors. This review is an attempt to summarize the research and development of TMDCs, MXenes and their hybrid structures in energy storage systems. (C) The Author(s) 2016. Published by ECS. All rights reserved.

  6. Two-dimensional materials for novel liquid separation membranes (United States)

    Ying, Yulong; Yang, Yefeng; Ying, Wen; Peng, Xinsheng


    Demand for a perfect molecular-level separation membrane with ultrafast permeation and a robust mechanical property for any kind of species to be blocked in water purification and desalination is urgent. In recent years, due to their intrinsic characteristics, such as a unique mono-atom thick structure, outstanding mechanical strength and excellent flexibility, as well as facile and large-scale production, graphene and its large family of two-dimensional (2D) materials are regarded as ideal membrane materials for ultrafast molecular separation. A perfect separation membrane should be as thin as possible to maximize its flux, mechanically robust and without failure even if under high loading pressure, and have a narrow nanochannel size distribution to guarantee its selectivity. The latest breakthrough in 2D material-based membranes will be reviewed both in theories and experiments, including their current state-of-the-art fabrication, structure design, simulation and applications. Special attention will be focused on the designs and strategies employed to control microstructures to enhance permeation and selectivity for liquid separation. In addition, critical views on the separation mechanism within two-dimensional material-based membranes will be provided based on a discussion of the effects of intrinsic defects during growth, predefined nanopores and nanochannels during subsequent fabrication processes, the interlayer spacing of stacking 2D material flakes and the surface charge or functional groups. Furthermore, we will summarize the significant progress of these 2D material-based membranes for liquid separation in nanofiltration/ultrafiltration and pervaporation. Lastly, we will recall issues requiring attention, and discuss existing questionable conclusions in some articles and emerging challenges. This review will serve as a valuable platform to provide a compact source of relevant and timely information about the development of 2D material-based membranes as

  7. Electrical and optoelectronic properties of two-dimensional materials (United States)

    Wang, Qiaoming

    Electrical and optoelectronic properties of bulk semiconductor materials have been extensively explored in last century. However, when reduced to one-dimensional and two-dimensional, many semiconductors start to show unique electrical and optoelectronic behaviors. In this dissertation, electrical and optoelectronic properties of one-dimensional (nanowires) and two-dimensional semiconductor materials are investigated by various techniques, including scanning photocurrent microscopy, scanning Kelvin probe microscopy, Raman spectroscopy, photoluminescence, and finite-element simulations. In our work, gate-tunable photocurrent in ZnO nanowires has been observed under optical excitation in the visible regime, which originates from the nanowire/substrate interface states. This gate tunability in the visible regime can be used to enhance the photon absorption efficiency, and suppress the undesirable visible-light photodetection in ZnO-based solar cells. The power conversion efficiency of CuInSe2/CdS core-shell nanowire solar cells has been investigated. The highest power conversion efficiency per unit area/volume is achieved with core diameter of 50 nm and the thinnest shell thickness. The existence of the optimal geometrical parameters is due to a combined effect of optical resonances and carrier transport/dynamics. Significant current crowding in two-dimensional black phosphorus field-effect transistors has been found, which has been significantly underestimated by the commonly used transmission-line model. This current crowding can lead to Joule heating close to the contacts. New van der Waals metal-semiconductor junctions have been mechanically constructed and systematically studied. The photocurrent on junction area has been demonstrated to originate from the photothermal effect rather than the photovoltaic effect. Our findings suggest that a reasonable control of interface/surface state properties can enable new and beneficial functionalities in nanostructures. We

  8. Electronic nanobiosensors based on two-dimensional materials (United States)

    Ping, Jinglei

    Atomically-thick two-dimensional (2D) nanomaterials have tremendous potential to be applied as transduction elements in biosensors and bioelectronics. We developed scalable methods for synthesis and large-area transfer of two-dimensional nanomaterials, particularly graphene and metal dichalcogenides (so called ``MX2'' materials). We also developed versatile fabrication methods for large arrays of field-effect transistors (FETs) and micro-electrodes with these nanomaterials based on either conventional photolithography or innovative approaches that minimize contamination of the 2D layer. By functionalizing the FETs with a computationally redesigned water-soluble mu-opioid receptor, we created selective and sensitive biosensors suitable for detection of the drug target naltrexone and the neuropeptide enkephalin at pg/mL concentrations. We also constructed DNA-functionalized biosensors and nano-particle decorated biosensors by applying related bio-nano integration techniques. Our methodology paves the way for multiplexed nanosensor arrays with all-electronic readout suitable for inexpensive point-of-care diagnostics, drug-development and biomedical research. With graphene field-effect transistors, we investigated the graphene/solution interface and developed a quantitative model for the effect of ionic screening on the graphene carrier density based on theories of the electric double layer. Finally, we have developed a technique for measuring low-level Faradaic charge-transfer current (fA) across the graphene/solution interface via real-time charge monitoring of graphene microelectrodes in ionic solution. This technique enables the development of flexible and transparent pH sensors that are promising for in vivo applications. The author acknowledges the support from the Defense Advanced Research Projects Agency (DARPA) and the U. S. Army Research Office under Grant Number W911NF1010093.

  9. Synthesis of two-dimensional materials by selective extraction. (United States)

    Naguib, Michael; Gogotsi, Yury


    CONSPECTUS: Two-dimensional (2D) materials have attracted much attention in the past decade. They offer high specific surface area, as well as electronic structure and properties that differ from their bulk counterparts due to the low dimensionality. Graphene is the best known and the most studied 2D material, but metal oxides and hydroxides (including clays), dichalcogenides, boron nitride (BN), and other materials that are one or several atoms thick are receiving increasing attention. They may deliver a combination of properties that cannot be provided by other materials. The most common synthesis approach in general is by reacting different elements or compounds to form a new compound. However, this approach does not necessarily work well for low-dimensional structures, since it favors formation of energetically preferred 3D (bulk) solids. Many 2D materials are produced by exfoliation of van der Waals solids, such as graphite or MoS2, breaking large particles into 2D layers. However, these approaches are not universal; for example, 2D transition metal carbides cannot be produced by any of them. An alternative but less studied way of material synthesis is the selective extraction process, which is based on the difference in reactivity and stability between the different components (elements or structural units) of the original material. It can be achieved using thermal, chemical, or electrochemical processes. Many 2D materials have been synthesized using selective extraction, such as graphene from SiC, transition metal oxides (TMO) from layered 3D salts, and transition metal carbides or carbonitrides (MXenes) from MAX phases. Selective extraction synthesis is critically important when the bonds between the building blocks of the material are too strong (e.g., in carbides) to be broken mechanically in order to form nanostructures. Unlike extractive metallurgy, where the extracted metal is the goal of the process, selective extraction of one or more elements from

  10. Subsurface imaging of two-dimensional materials at the nanoscale (United States)

    Dinelli, Franco; Pingue, Pasqualantonio; Kay, Nicholas D.; Kolosov, Oleg V.


    Scanning probe microscopy (SPM) represents a powerful tool that, in the past 30 years, has allowed for the investigation of material surfaces in unprecedented ways at the nanoscale level. However, SPM has shown very little capability for depth penetration, which several nanotechnology applications require. Subsurface imaging has been achieved only in a few cases, when subsurface features influence the physical properties of the surface, such as the electronic states or the heat transfer. Ultrasonic force microscopy (UFM), an adaption of the contact mode atomic force microscopy, can dynamically measure the stiffness of the elastic contact between the probing tip and the sample surface. In particular, UFM has proven highly sensitive to the near-surface elastic field in non-homogeneous samples. In this paper, we present an investigation of two-dimensional (2D) materials, namely flakes of graphite and molybdenum disulphide placed on structured polymeric substrates. We show that UFM can non-destructively distinguish suspended and supported areas and localise defects, such as buckling or delamination of adjacent monolayers, generated by residual stress. Specifically, UFM can probe small variations in the local indentation induced by the mechanical interaction between the tip and the sample. Therefore, any change in the elastic modulus within the volume perturbed by the applied load or the flexural bending of the suspended areas can be detected and imaged. These investigation capabilities are very promising in order to study the buried interfaces of nanostructured 2D materials such as in graphene-based devices.

  11. Tunable states of interlayer cations in two-dimensional materials

    Energy Technology Data Exchange (ETDEWEB)

    Sato, K.; Numata, K. [Department of Environmental Sciences, Tokyo Gakugei University, Koganei, Tokyo 184-8501 (Japan); Dai, W. [Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin 300071 (China); Hunger, M. [Institute of Chemical Technology, University of Stuttgart, 70550 Stuttgart (Germany)


    The local state of cations inside the Ångstrom-scale interlayer spaces is one of the controlling factors for designing sophisticated two-dimensional (2D) materials consisting of 2D nanosheets. In the present work, the molecular mechanism on how the interlayer cation states are induced by the local structures of the 2D nanosheets is highlighted. For this purpose, the local states of Na cations in inorganic 2D materials, in which the compositional fluctuations of a few percent are introduced in the tetrahedral and octahedral units of the 2D nanosheets, were systematically studied by means of {sup 23}Na magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) and {sup 23}Na multiple-quantum MAS (MQMAS) NMR spectroscopy. In contrast with an uniform distribution of Na cations expected so far, various well-defined cation states sensitive to the local structures of the 2D nanosheets were identified. The tunability of the interlayer cation states along with the local structure of the 2D nanosheets, as the smallest structural unit of the 2D material, is discussed.

  12. Electronic, Vibrational and Thermoelectric Properties of Two-Dimensional Materials (United States)

    Wickramaratne, Darshana

    The discovery of graphene's unique electronic and thermal properties has motivated the search for new two-dimensional materials. Examples of these materials include the layered two-dimensional transition metal dichalcogenides (TMDC) and metal mono-chalcogenides. The properties of the TMDCs (eg. MoS 2, WS2, TaS2, TaSe2) and the metal mono-chalcogenides (eg. GaSe, InSe, SnS) are diverse - ranging from semiconducting, semi-metallic and metallic. Many of these materials exhibit strongly correlated phenomena and exotic collective states such as exciton condensates, charge density waves, Lifshitz transitions and superconductivity. These properties change as the film thickness is reduced down to a few monolayers. We use first-principles simulations to discuss changes in the electronic and the vibrational properties of these materials as the film thickness evolves from a single atomic monolayer to the bulk limit. In the semiconducting TMDCs (MoS2, MoSe2, WS2 and WSe2) and monochalcogenides (GaS, GaSe, InS and InSe) we show confining these materials to their monolayer limit introduces large band degeneracies or non-parabolic features in the electronic structure. These changes in the electronic structure results in increases in the density of states and the number of conducting modes. Our first-principles simulations combined with a Landauer approach show these changes can lead to large enhancements up to an order of magnitude in the thermoelectric performance of these materials when compared to their bulk structure. Few monolayers of the TMDCs can be misoriented with respect to each other due to the weak van-der-Waals (vdW) force at the interface of two monolayers. Misorientation of the bilayer semiconducting TMDCs increases the interlayer van-der-Waals gap distance, reduces the interlayer coupling and leads to an increase in the magnitude of the indirect bandgap by up to 100 meV compared to the registered bilayer. In the semi-metallic and metallic TMDC compounds (TiSe2, Ta

  13. Two-dimensional materials based transparent flexible electronics (United States)

    Yu, Lili; Ha, Sungjae; El-Damak, Dina; McVay, Elaine; Ling, Xi; Chandrakasan, Anantha; Kong, Jing; Palacios, Tomas


    Two-dimensional (2D) materials have generated great interest recently as a set of tools for electronics, as these materials can push electronics beyond traditional boundaries. These materials and their heterostructures offer excellent mechanical flexibility, optical transparency, and favorable transport properties for realizing electronic, sensing, and optical systems on arbitrary surfaces. These thin, lightweight, bendable, highly rugged and low-power devices may bring dramatic changes in information processing, communications and human-electronic interaction. In this report, for the first time, we demonstrate two complex transparent flexible systems based on molybdenum disulfide (MoS2) grown by chemical vapor method: a transparent active-matrix organic light-emitting diode (AMOLED) display and a MoS2 wireless link for sensor nodes. The 1/2 x 1/2 square inch, 4 x 5 pixels AMOLED structures are built on transparent substrates, containing MoS2 back plane circuit and OLEDs integrated on top of it. The back plane circuit turns on and off the individual pixel with two MoS2 transistors and a capacitor. The device is designed and fabricated based on SPICE simulation to achieve desired DC and transient performance. We have also demonstrated a MoS2 wireless self-powered sensor node. The system consists of as energy harvester, rectifier, sensor node and logic units. AC signals from the environment, such as near-field wireless power transfer, piezoelectric film and RF signal, are harvested, then rectified into DC signal by a MoS2 diode. CIQM, CICS, SRC.

  14. Electrical transport across metal/two-dimensional carbon junctions: Edge versus side contacts

    Directory of Open Access Journals (Sweden)

    Yihong Wu


    Full Text Available Metal/two-dimensional carbon junctions are characterized by using a nanoprobe in an ultrahigh vacuum environment. Significant differences were found in bias voltage (V dependence of differential conductance (dI/dV between edge- and side-contact; the former exhibits a clear linear relationship (i.e., dI/dV ∝ V, whereas the latter is characterized by a nonlinear dependence, dI/dV ∝ V3/2. Theoretical calculations confirm the experimental results, which are due to the robust two-dimensional nature of the carbon materials under study. Our work demonstrates the importance of contact geometry in graphene-based electronic devices.

  15. Theoretical Study of Carrier Mobility in Two-Dimensional Tetragonal Carbon Allotrope from Porous Graphene

    Institute of Scientific and Technical Information of China (English)

    Song Gao; Hui Xiang; Bo Xu; Yi-Dong Xia; Jiang Yin; Zhi-Guo Liu


    The carrier mobility of two-dimensional tetragonal carbon allotrope (T-CA) from porous graphene is investigated by first-principles calculations.T-CA can be constructed from divacancy and Stone-Thrower-Wales defects from graphene.T-CA is a direct semiconductor with a band gap of 0.4 eV at Γ point.T-CA possesses a high carrier mobility of the order of 104 cm2 V-1s-1.As our study demonstrates,T-CA has potential applications for next-generation electronic materials.

  16. Two-dimensional carbon-based nanocomposites for photocatalytic energy generation and environmental remediation applications. (United States)

    Kumar, Suneel; Kumar, Ashish; Bahuguna, Ashish; Sharma, Vipul; Krishnan, Venkata


    In the pursuit towards the use of sunlight as a sustainable source for energy generation and environmental remediation, photocatalytic water splitting and photocatalytic pollutant degradation have recently gained significant importance. Research in this field is aimed at solving the global energy crisis and environmental issues in an ecologically-friendly way by using two of the most abundant natural resources, namely sunlight and water. Over the past few years, carbon-based nanocomposites, particularly graphene and graphitic carbon nitride, have attracted much attention as interesting materials in this field. Due to their unique chemical and physical properties, carbon-based nanocomposites have made a substantial contribution towards the generation of clean, renewable and viable forms of energy from light-based water splitting and pollutant removal. This review article provides a comprehensive overview of the recent research progress in the field of energy generation and environmental remediation using two-dimensional carbon-based nanocomposites. It begins with a brief introduction to the field, basic principles of photocatalytic water splitting for energy generation and environmental remediation, followed by the properties of carbon-based nanocomposites. Then, the development of various graphene-based nanocomposites for the above-mentioned applications is presented, wherein graphene plays different roles, including electron acceptor/transporter, cocatalyst, photocatalyst and photosensitizer. Subsequently, the development of different graphitic carbon nitride-based nanocomposites as photocatalysts for energy and environmental applications is discussed in detail. This review concludes by highlighting the advantages and challenges involved in the use of two-dimensional carbon-based nanocomposites for photocatalysis. Finally, the future perspectives of research in this field are also briefly mentioned.

  17. Atom-Based Geometrical Fingerprinting of Conformal Two-Dimensional Materials (United States)

    Mehboudi, Mehrshad

    The shape of two-dimensional materials plays a significant role on their chemical and physical properties. Two-dimensional materials are basic meshes that are formed by mesh points (vertices) given by atomic positions, and connecting lines (edges) between points given by chemical bonds. Therefore the study of local shape and geometry of two-dimensional materials is a fundamental prerequisite to investigate physical and chemical properties. Hereby the use of discrete geometry to discuss the shape of two-dimensional materials is initiated. The local geometry of a surface embodied in 3D space is determined using four invariant numbers from the metric and curvature tensors which indicates how much the surface is stretched and curved under a deformation as compared to a reference pre-deformed conformation. Many different disciplines advance theories on conformal two-dimensional materials by relying on continuum mechanics and fitting continuum surfaces to the shape of conformal two-dimensional materials. However two-dimensional materials are inherently discrete. The continuum models are only applicable when the size of two-dimensional materials is significantly large and the deformation is less than a few percent. In this research, the knowledge of discrete differential geometry was used to tell the local shape of conformal two-dimensional materials. Three kind of two-dimensional materials are discussed: 1) one atom thickness structures such as graphene and hexagonal boron nitride; 2) high and low buckled 2D meshes like stanene, leadene, aluminum phosphate; and, 3) multi layer 2D materials such as Bi2Se3 and WSe2. The lattice structures of these materials were created by designing a mechanical model - the mechanical model was devised in the form of a Gaussian bump and density-functional theory was used to inform the local height; and, the local geometries are also discussed.

  18. Graphene materials having randomly distributed two-dimensional structural defects

    Energy Technology Data Exchange (ETDEWEB)

    Kung, Harold H.; Zhao, Xin; Hayner, Cary M.; Kung, Mayfair C.


    Graphene-based storage materials for high-power battery applications are provided. The storage materials are composed of vertical stacks of graphene sheets and have reduced resistance for Li ion transport. This reduced resistance is achieved by incorporating a random distribution of structural defects into the stacked graphene sheets, whereby the structural defects facilitate the diffusion of Li ions into the interior of the storage materials.

  19. Graphene materials having randomly distributed two-dimensional structural defects (United States)

    Kung, Harold H; Zhao, Xin; Hayner, Cary M; Kung, Mayfair C


    Graphene-based storage materials for high-power battery applications are provided. The storage materials are composed of vertical stacks of graphene sheets and have reduced resistance for Li ion transport. This reduced resistance is achieved by incorporating a random distribution of structural defects into the stacked graphene sheets, whereby the structural defects facilitate the diffusion of Li ions into the interior of the storage materials.

  20. Electronic structure of boron based single and multi-layer two dimensional materials (United States)

    Miyazato, Itsuki; Takahashi, Keisuke


    Two dimensional nanosheets based on boron and Group VA elements are designed and characterized using first principles calculations. B-N, B-P, B-As, B-Sb, and B-Bi are found to possess honeycomb structures where formation energies indicate exothermic reactions. Contrary to B-N, the cases of B-P, B-As, B-Sb, and B-Bi nanosheets are calculated to possess narrow band gaps. In addition, calculations reveal that the electronegativity difference between B and Group VA elements in the designed materials is a good indicator to predict the charge transfer and band gap of the two dimensional materials. Hydrogen adsorption over defect-free B-Sb and B-Bi results in exothermic reactions, while defect-free B-N, B-P, and B-As result in endothermic reactions. The layerability of the designed two dimensional materials is also investigated where the electronic structure of two-layered two dimensional materials is strongly coupled with how the two dimensional materials are layered. Thus, one can consider that the properties of two dimensional materials can be controlled by the composition of two dimensional materials and the structure of layers.

  1. Nanofluidics in two-dimensional layered materials: inspirations from nature. (United States)

    Gao, Jun; Feng, Yaping; Guo, Wei; Jiang, Lei


    With the advance of chemistry, materials science, and nanotechnology, significant progress has been achieved in the design and application of synthetic nanofluidic devices and materials, mimicking the gating, rectifying, and adaptive functions of biological ion channels. Fundamental physics and chemistry behind these novel transport phenomena on the nanoscale have been explored in depth on single-pore platforms. However, toward real-world applications, one major challenge is to extrapolate these single-pore devices into macroscopic materials. Recently, inspired partially by the layered microstructure of nacre, the material design and large-scale integration of artificial nanofluidic devices have stepped into a completely new stage, termed 2D nanofluidics. Unique advantages of the 2D layered materials have been found, such as facile and scalable fabrication, high flux, efficient chemical modification, tunable channel size, etc. These features enable wide applications in, for example, biomimetic ion transport manipulation, molecular sieving, water treatment, and nanofluidic energy conversion and storage. This review highlights the recent progress, current challenges, and future perspectives in this emerging research field of "2D nanofluidics", with emphasis on the thought of bio-inspiration.

  2. Universal description of channel plasmons in two-dimensional materials

    DEFF Research Database (Denmark)

    Gonçalves, P. A. D.; Bozhevolnyi, Sergey I.; Mortensen, N. Asger


    Channeling surface plasmon-polaritons to control their propagation direction is of the utmost importance for future optoelectronic devices. Here, we develop an effective-index method to describe and characterize the properties of 2D material's channel plasmon-polaritons (CPPs) guided along a V......-shaped channel. Focusing on the case of graphene, we derive a universal Schr\\"odinger-like equation from which one can determine the dispersion relation of graphene CPPs and corresponding field distributions at any given frequency, since they depend on the geometry of the structure alone. The results...... are then compared against more rigorous theories, having obtained a very good agreement. Our calculations show that CPPs in graphene and other 2D materials are attractive candidates to achieve deep subwavelength waveguiding of light, holding potential as active components for the next generation of tunable photonic...

  3. Photodetectors based on graphene, other two-dimensional materials and hybrid systems. (United States)

    Koppens, F H L; Mueller, T; Avouris, Ph; Ferrari, A C; Vitiello, M S; Polini, M


    Graphene and other two-dimensional materials, such as transition metal dichalcogenides, have rapidly established themselves as intriguing building blocks for optoelectronic applications, with a strong focus on various photodetection platforms. The versatility of these material systems enables their application in areas including ultrafast and ultrasensitive detection of light in the ultraviolet, visible, infrared and terahertz frequency ranges. These detectors can be integrated with other photonic components based on the same material, as well as with silicon photonic and electronic technologies. Here, we provide an overview and evaluation of state-of-the-art photodetectors based on graphene, other two-dimensional materials, and hybrid systems based on the combination of different two-dimensional crystals or of two-dimensional crystals and other (nano)materials, such as plasmonic nanoparticles, semiconductors, quantum dots, or their integration with (silicon) waveguides.

  4. Two Dimensional Honeycomb Materials: Random Fields, Dissipation and Fluctuations (United States)

    Frederico, T.; Oliveira, O.; de Paula, W.; Hussein, M. S.; Cardoso, T. R.


    In this paper, we propose a method to describe the many-body problem of electrons in honeycomb materials via the introduction of random fields which are coupled to the electrons and have a Gaussian distribution. From a one-body approach to the problem, after integrating exactly the contribution of the random fields, one builds a non-hermitian and dissipative effective Hamiltonian with two-body interactions. Our approach introduces besides the usual average over the electron field a second average over the random fields. The interplay of two averages enables the definition of various types of Green's functions which allow the investigation of fluctuation-dissipation characteristics of the interactions that are a manifestation of the many-body problem. In the current work, we study only the dissipative term, through the perturbative analysis of the dynamics associated the effective Hamiltonian generated by two different kinds of couplings. For the cases analyzed, the eigenstates of the effective Hamiltonian are complex and, therefore, some of the states have a finite life time. Moreover, we also investigate, in the mean field approximation, the most general parity conserving coupling to the random fields and compute the width of charge carriers Γ as a function of the Fermi energy E F . The theoretical prediction for Γ( E F ) is compared to the available experimental data for graphene. The good agreement between Γ t h e o and Γ e x p suggests that description of the many-body problem associated to the electrons in honeycomb materials can indeed be done via the introduction of random fields.

  5. Complete Proton and Carbon Assignment of Triclosan via One- and Two- Dimensional Nuclear Magnetic Resonance Analysis (United States)

    Students from an upper-division undergraduate spectroscopy class analyzed one- and two-dimensional 400 MHz NMR spectroscopic data from triclosan in CDCl3. Guided assignment of all proton and carbon signals was completed via 1D proton and carbon, nuclear Overhauser effect (nOe), distortionless enhanc...

  6. Two-Dimensional Covalent Organic Frameworks for Carbon Dioxide Capture through Channel-Wall Functionalization

    NARCIS (Netherlands)

    Huang, N.; Chen, X.; Krishna, R.; Jiang, D.


    Ordered open channels found in two-dimensional covalent organic frameworks (2D COFs) could enable them to adsorb carbon dioxide. However, the frameworks' dense layer architecture results in low porosity that has thus far restricted their potential for carbon dioxide adsorption. Here we report a

  7. Functionalized graphene and other two-dimensional materials for photovoltaic devices: device design and processing. (United States)

    Liu, Zhike; Lau, Shu Ping; Yan, Feng


    Graphene is the thinnest two-dimensional (2D) carbon material and has many advantages including high carrier mobilities and conductivity, high optical transparency, excellent mechanical flexibility and chemical stability, which make graphene an ideal material for various optoelectronic devices. The major applications of graphene in photovoltaic devices are for transparent electrodes and charge transport layers. Several other 2D materials have also shown advantages in charge transport and light absorption over traditional semiconductor materials used in photovoltaic devices. Great achievements in the applications of 2D materials in photovoltaic devices have been reported, yet numerous challenges still remain. For practical applications, the device performance should be further improved by optimizing the 2D material synthesis, film transfer, surface functionalization and chemical/physical doping processes. In this review, we will focus on the recent advances in the applications of graphene and other 2D materials in various photovoltaic devices, including organic solar cells, Schottky junction solar cells, dye-sensitized solar cells, quantum dot-sensitized solar cells, other inorganic solar cells, and perovskite solar cells, in terms of the functionalization techniques of the materials, the device design and the device performance. Finally, conclusions and an outlook for the future development of this field will be addressed.

  8. Material line fluctuations slaved to bulk correlations in two-dimensional turbulence (United States)

    Odijk, Theo


    An analogy is pointed out between a polymer chain fluctuating in a two-dimensional nematic background and a freely floating material line buffeted by a two-dimensional turbulent fluid in the inertial (Kraichnan) regime. Under certain conditions, the back-reaction of the line on the turbulent flow may be neglected. The fractal exponent related to the size-contour relation of the material line is connected to a "nematic" correlation function in the bulk.

  9. Hydrogenated bilayer wurtzite SiC nanofilms: a two-dimensional bipolar magnetic semiconductor material. (United States)

    Yuan, Long; Li, Zhenyu; Yang, Jinlong


    Recently, a new kind of spintronics material, bipolar magnetic semiconductors (BMS), has been proposed. The spin polarization of BMS can be conveniently controlled by a gate voltage, which makes it very attractive in device engineering. Now, the main challenge is finding more BMS materials. In this article, we propose that hydrogenated wurtzite SiC nanofilm is a two-dimensional BMS material. Its BMS character is very robust under the effect of strain, substrate or even a strong electric field. The proposed two-dimensional BMS material paves the way to use this promising new material in an integrated circuit.

  10. Visualising the strain distribution in suspended two-dimensional materials under local deformation (United States)

    Elibol, Kenan; Bayer, Bernhard C.; Hummel, Stefan; Kotakoski, Jani; Argentero, Giacomo; Meyer, Jannik C.


    We demonstrate the use of combined simultaneous atomic force microscopy (AFM) and laterally resolved Raman spectroscopy to study the strain distribution around highly localised deformations in suspended two-dimensional materials. Using the AFM tip as a nanoindentation probe, we induce localised strain in suspended few-layer graphene, which we adopt as a two-dimensional membrane model system. Concurrently, we visualise the strain distribution under and around the AFM tip in situ using hyperspectral Raman mapping via the strain-dependent frequency shifts of the few-layer graphene’s G and 2D Raman bands. Thereby we show how the contact of the nm-sized scanning probe tip results in a two-dimensional strain field with μm dimensions in the suspended membrane. Our combined AFM/Raman approach thus adds to the critically required instrumental toolbox towards nanoscale strain engineering of two-dimensional materials.

  11. Two-dimensional carbon-coated graphene/metal oxide hybrids for enhanced lithium storage. (United States)

    Su, Yuezeng; Li, Shuang; Wu, Dongqing; Zhang, Fan; Liang, Haiwei; Gao, Pengfei; Cheng, Chong; Feng, Xinliang


    Metal oxides (MOs) have been widely investigated as promising high-capacity anode material for lithium ion batteries, but they usually exhibit poor cycling stability and rate performance due to the huge volume change induced by the alloying reaction with lithium. In this article, we present a double protection strategy by fabricating a two-dimensional (2D) core-shell nanostructure to improve the electrochemical performance of metal oxides in lithium storage. The 2D core-shell architecture is constructed by confining the well-defined graphene based metal oxides nanosheets (G@MO) within carbon layers. The resulting 2D carbon-coated graphene/metal oxides nanosheets (G@MO@C) inherit the advantages of graphene, which possesses high electrical conductivity, large aspect ratio, and thin feature. Furthermore, the carbon shells can tackle the deformation of MO nanoparticles while keeping the overall electrode highly conductive and active in lithium storage. As the result, the produced G@MO@C hybrids exhibit outstanding reversible capacity and excellent rate performance for lithium storage (G@SnO(2)@C, 800 mAh g(-1) at the rate of 200 mA g(-1) after 100 cycles; G@Fe(3)O(4)@C, 920 mAh g(-1) at the rate of 200 mA g(-1) after 100 cycles).

  12. Two-dimensional boron-nitrogen-carbon monolayers with tunable direct band gaps (United States)

    Zhang, Miao; Gao, Guoying; Kutana, Alex; Wang, Yanchao; Zou, Xiaolong; Tse, John S.; Yakobson, Boris I.; Li, Hongdong; Liu, Hanyu; Ma, Yanming


    The search for new candidate semiconductors with direct band gaps of ~1.4 eV has attracted significant attention, especially among the two-dimensional (2D) materials, which have become potential candidates for next-generation optoelectronics. Herein, we systematically studied 2D Bx/2Nx/2C1-x (0 optimization method (CALYPSO) in conjunction with density functional theory. Furthermore, we examine more stoichiometries by the cluster expansion technique based on a hexagonal lattice. The results reveal that all monolayer Bx/2Nx/2C1-x stoichiometries adopt a planar honeycomb character and are dynamically stable. Remarkably, electronic structural calculations show that most of Bx/2Nx/2C1-x phases possess direct band gaps within the optical range, thereby they can potentially be used in high-efficiency conversion of solar energy to electric power, as well as in p-n junction photovoltaic modules. The present results also show that the band gaps of Bx/2Nx/2C1-x can be widely tuned within the optical range by changing the concentration of carbon, thus allowing the fast development of band gap engineered materials in optoelectronics. These new findings may enable new approaches to the design of microelectronic devices.The search for new candidate semiconductors with direct band gaps of ~1.4 eV has attracted significant attention, especially among the two-dimensional (2D) materials, which have become potential candidates for next-generation optoelectronics. Herein, we systematically studied 2D Bx/2Nx/2C1-x (0 optimization method (CALYPSO) in conjunction with density functional theory. Furthermore, we examine more stoichiometries by the cluster expansion technique based on a hexagonal lattice. The results reveal that all monolayer Bx/2Nx/2C1-x stoichiometries adopt a planar honeycomb character and are dynamically stable. Remarkably, electronic structural calculations show that most of Bx/2Nx/2C1-x phases possess direct band gaps within the optical range, thereby they can

  13. A Large Deformation Model for the Elastic Moduli of Two-dimensional Cellular Materials

    Institute of Scientific and Technical Information of China (English)

    HU Guoming; WAN Hui; ZHANG Youlin; BAO Wujun


    We developed a large deformation model for predicting the elastic moduli of two-dimensional cellular materials. This large deformation model was based on the large deflection of the inclined members of the cells of cellular materials. The deflection of the inclined member, the strain of the representative structure and the elastic moduli of two-dimensional cellular materials were expressed using incomplete elliptic integrals. The experimental results show that these elastic moduli are no longer constant at large deformation, but vary significantly with the strain. A comparison was made between this large deformation model and the small deformation model proposed by Gibson and Ashby.

  14. Axisymmetric Thermo-elastic Deformation of the Cylinder with Two-dimensional Inhomogeneity of Material

    Directory of Open Access Journals (Sweden)

    Andreev V.I.


    Full Text Available The article discusses the use of a numerical method the calculation of finite cylinders into account the dependence of physical and mechanical properties of the material on temperature. If we have two-dimensional temperature field characteristics of the material depends on two coordinates. - r and z from which follows that the problem of thermoelasticity is also a two-dimensional. Using the numerical method allows to solve the problem for any state of the cylinder (plane stress or plane strain and consider arbitrary boundary conditions at its ends.

  15. Phthalo-carbonitride: an ab initio prediction of a stable two-dimensional material (United States)

    Tsetseris, Leonidas


    Using density-functional theory calculations, we identify a stable two-dimensional carbonitride polymorph which resembles the core of phthalocyanine molecules. This so-called phthalo-carbonitride is found to be the lowest-energy polymer made of tetracyanoethylene molecules. It is a two-dimensional metal in its pristine form. Functionalization of the phthalo-cores with copper or iron atoms retains the metallic character of the material, but also adds magnetization to the system. Based on these properties and the established use of phthalocyanine molecules in various applications, the growth of phthalo-carbonitride sheets can add another multi-functional building block to the research and technology of two-dimensional materials.

  16. Thermoelectric materials by using two-dimensional materials with negative correlation between electrical and thermal conductivity. (United States)

    Lee, Myoung-Jae; Ahn, Ji-Hoon; Sung, Ji Ho; Heo, Hoseok; Jeon, Seong Gi; Lee, Woo; Song, Jae Yong; Hong, Ki-Ha; Choi, Byeongdae; Lee, Sung-Hoon; Jo, Moon-Ho


    In general, in thermoelectric materials the electrical conductivity σ and thermal conductivity κ are related and thus cannot be controlled independently. Previously, to maximize the thermoelectric figure of merit in state-of-the-art materials, differences in relative scaling between σ and κ as dimensions are reduced to approach the nanoscale were utilized. Here we present an approach to thermoelectric materials using tin disulfide, SnS2, nanosheets that demonstrated a negative correlation between σ and κ. In other words, as the thickness of SnS2 decreased, σ increased whereas κ decreased. This approach leads to a thermoelectric figure of merit increase to 0.13 at 300 K, a factor ∼1,000 times greater than previously reported bulk single-crystal SnS2. The Seebeck coefficient obtained for our two-dimensional SnS2 nanosheets was 34.7 mV K(-1) for 16-nm-thick samples at 300 K.

  17. Ullmann-like reactions for the synthesis of complex two-dimensional materials (United States)

    Quardokus, Rebecca C.; Tewary, V. K.; DelRio, Frank W.


    Engineering two-dimensional materials through surface-confined synthetic techniques is a promising avenue for designing new materials with tailored properties. Developing and understanding reaction mechanisms for surface-confined synthesis of two-dimensional materials requires atomic-level characterization and chemical analysis. Beggan et al (2015 Nanotechnology 26 365602) used scanning tunneling microscopy and x-ray photoelectron spectroscopy to elucidate the formation mechanism of surface-confined Ullmann-like coupling of thiophene substituted porphyrins on Ag(111). Upon surface deposition, bromine is dissociated and the porphyrins couple with surface adatoms to create linear strands and hexagonally packed molecules. Annealing the sample results in covalently-bonded networks of thienylporphyrin derivatives. A deeper understanding of surface-confined Ullmann-like coupling has the potential to lead to precision-engineered nano-structures through synthetic techniques. Contribution of the National Institute of Standards and Technology, not subject to copyright in the United States of America.

  18. The effect of depolarization fields on the electronic properties of two-dimensional materials (United States)

    Shin, Young-Han; Kim, Hye Jung; Noor-A-Alam, Mohammad


    Graphene is a two-dimensional semimetal with a zero band gap. By weakening the sp2 covalent bonding of graphene with additional elements such as hydrogen or fluorine, however, it is possible to make it insulating. We can expect that the band gap converges to that of a three-dimensional analogue by repeating such two-dimensional layers along the normal to the layer. If we control the position of additional elements to make a dipole monolayer, the system will have an intrinsic internal field decreases as the number of layers increases. But, for two-dimensional bilayers, depolarization field is so strong that its electronic properties can be much different from its monolayer analogue. In this presentation, we show that the internal fields induced by dipole moments can change electronic properties of two-dimensional materials such as graphene-like structures and complex metal oxides. This work was supported by the National Research Foundation of Korea Grant by the Ministry of Education, Science, and Technology (2009-0093818, 2012-014007, 2014M3A7B4049367)

  19. Ultrathin two-dimensional inorganic materials: new opportunities for solid state nanochemistry. (United States)

    Sun, Yongfu; Gao, Shan; Lei, Fengcai; Xiao, Chong; Xie, Yi


    CONSPECTUS: The ultimate goal of solid state chemistry is to gain a clear correlation between atomic, defect, and electronic structure and intrinsic properties of solid state materials. Solid materials can generally be classified as amorphous, quasicrystalline, and crystalline based on their atomic arrangement, in which crystalline materials can be further divided into single crystals, microcrystals, and nanocrystals. Conventional solid state chemistry mainly focuses on studying single crystals and microcrystals, while recently nanocrystals have become a hot research topic in the field of solid state chemistry. As more and more nanocrystalline materials have been artificially fabricated, the solid state chemistry for studying those nanosolids has become a new subdiscipline: solid state nanochemistry. However, solid state nanochemistry, usually called "nanochemistry" for short, primarily studies the microstructures and macroscopic properties of a nanomaterial's aggregation states. Due to abundant microstructures in the aggregation states, it is only possible to build a simple but imprecise correlation between the microscopic morphology and the macroscopic properties of the nanostructures. Notably, atomically thin two-dimensional inorganic materials provide an ideal platform to establish clear structure-property relationships in the field of solid state nanochemistry, thanks to their homogeneous dispersion without the assistance of a capping ligand. In addition, their atomic structures including coordination number, bond length, and disorder degree of the examined atoms can be clearly disclosed by X-ray absorption fine structure spectroscopy. Also, their more exposed interior atoms would inevitably induce the formation of various defects, which would have a non-negligible effect on their physicochemical properties. Based on the obtained atomic and defect structural characteristics, density-functional calculations are performed to study their electronic structures

  20. Two-dimensional microwave band-gap structures of different dielectric materials

    Indian Academy of Sciences (India)

    E D V Nagesh; G Santosh Babu; V Subramanian; V Sivasubramanian; V R K Murthy


    We report the use of low dielectric constant materials to form two-dimensional microwave band-gap structures for achieving high gap-to-midgap ratio. The variable parameters chosen are the lattice spacing and the geometric structure. The selected geometries are square and triangular and the materials chosen are PTFE ( = 2.1), PVC ( = 2.38) and glass ( = 5.5). Using the plane-wave expansion method, proper lattice spacing is selected for each structure and material. The observed experimental results are analyzed with the help of the theoretical prediction.

  1. Two-dimensional gold nanostructures with high activity for selective oxidation of carbon-hydrogen bonds (United States)

    Wang, Liang; Zhu, Yihan; Wang, Jian-Qiang; Liu, Fudong; Huang, Jianfeng; Meng, Xiangju; Basset, Jean-Marie; Han, Yu; Xiao, Feng-Shou


    Efficient synthesis of stable two-dimensional (2D) noble metal catalysts is a challenging topic. Here we report the facile synthesis of 2D gold nanosheets via a wet chemistry method, by using layered double hydroxide as the template. Detailed characterization with electron microscopy and X-ray photoelectron spectroscopy demonstrates that the nanosheets are negatively charged and [001] oriented with thicknesses varying from single to a few atomic layers. X-ray absorption spectroscopy reveals unusually low gold-gold coordination numbers. These gold nanosheets exhibit high catalytic activity and stability in the solvent-free selective oxidation of carbon-hydrogen bonds with molecular oxygen.

  2. Boundaries determine the formation energies of lattice defects in two-dimensional buckled materials (United States)

    Jain, Sandeep K.; Juričić, Vladimir; Barkema, Gerard T.


    Lattice defects are inevitably present in two-dimensional materials, with direct implications on their physical and chemical properties. We show that the formation energy of a lattice defect in buckled two-dimensional crystals is not uniquely defined as it takes different values for different boundary conditions even in the thermodynamic limit, as opposed to their perfectly planar counterparts. Also, the approach to the thermodynamic limit follows a different scaling: inversely proportional to the logarithm of the system size for buckled materials, rather than the usual power-law approach. In graphene samples of ˜1000 atoms, different boundary conditions can cause differences exceeding 10 eV. Besides presenting numerical evidence in simulations, we show that the universal features in this behavior can be understood with simple bead-spring models. Fundamentally, our findings imply that it is necessary to specify the boundary conditions for the energy of the lattice defects in the buckled two-dimensional crystals to be uniquely defined, and this may explain the lack of agreement in the reported values of formation energies in graphene. We argue that boundary conditions may also have an impact on other physical observables such as the melting temperature.

  3. Novel effects of strains in graphene and other two dimensional materials (United States)

    Amorim, B.; Cortijo, A.; de Juan, F.; Grushin, A. G.; Guinea, F.; Gutiérrez-Rubio, A.; Ochoa, H.; Parente, V.; Roldán, R.; San-Jose, P.; Schiefele, J.; Sturla, M.; Vozmediano, M. A. H.


    The analysis of the electronic properties of strained or lattice deformed graphene combines ideas from classical condensed matter physics, soft matter, and geometrical aspects of quantum field theory (QFT) in curved spaces. Recent theoretical and experimental work shows the influence of strains in many properties of graphene not considered before, such as electronic transport, spin-orbit coupling, the formation of Moiré patterns and optics. There is also significant evidence of anharmonic effects, which can modify the structural properties of graphene. These phenomena are not restricted to graphene, and they are being intensively studied in other two dimensional materials, such as the transition metal dichalcogenides. We review here recent developments related to the role of strains in the structural and electronic properties of graphene and other two dimensional compounds.

  4. Novel effects of strains in graphene and other two dimensional materials

    Energy Technology Data Exchange (ETDEWEB)

    Amorim, B., E-mail: [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain); Department of Physics and Center of Physics, University of Minho, P-4710-057, Braga (Portugal); Cortijo, A. [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain); Juan, F. de [Materials Science Division, Lawrence Berkeley National Laboratories, Berkeley, CA 94720 (United States); Department of Physics, University of California, Berkeley, CA 94720 (United States); Grushin, A.G. [Max-Planck-Institut fur Physik komplexer Systeme, 01187 Dresden (Germany); Guinea, F. [School of Physics and Astronomy, University of Manchester, Oxford Road, Manchester M13 9PL (United Kingdom); IMDEA Nanociencia Calle de Faraday, 9, Cantoblanco, 28049, Madrid (Spain); Donostia International Physics Center (DIPC), 20018 San Sebastián (Spain); Gutiérrez-Rubio, A. [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain); Ochoa, H. [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain); Donostia International Physics Center (DIPC), 20018 San Sebastián (Spain); Parente, V. [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain); IMDEA Nanociencia Calle de Faraday, 9, Cantoblanco, 28049, Madrid (Spain); Roldán, R.; San-Jose, P.; Schiefele, J. [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain); Sturla, M. [IFLP-CONICET. Departamento de Física, Universidad Nacional de La Plata, (1900) La Plata (Argentina); Vozmediano, M.A.H. [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain)


    The analysis of the electronic properties of strained or lattice deformed graphene combines ideas from classical condensed matter physics, soft matter, and geometrical aspects of quantum field theory (QFT) in curved spaces. Recent theoretical and experimental work shows the influence of strains in many properties of graphene not considered before, such as electronic transport, spin–orbit coupling, the formation of Moiré patterns and optics. There is also significant evidence of anharmonic effects, which can modify the structural properties of graphene. These phenomena are not restricted to graphene, and they are being intensively studied in other two dimensional materials, such as the transition metal dichalcogenides. We review here recent developments related to the role of strains in the structural and electronic properties of graphene and other two dimensional compounds.

  5. Reduction study of oxidized two-dimensional graphene-based materials by chemical and thermal reduction methods (United States)

    Douglas, Amber M.

    Graphene is a two-dimensional (2D) sp2-hybridized carbon-based material possessing properties which include high electrical conductivity, ballistic thermal conductivity, tensile strength exceeding that of steel, high flexural strength, optical transparency, and the ability to adsorb and desorb atoms and molecules. Due to the characteristics of said material, graphene is a candidate for applications in integrated circuits, electrochromic devices, transparent conducting electrodes, desalination, solar cells, thermal management materials, polymer nanocomposites, and biosensors. Despite the above mentioned properties and possible applications, very few technologies have been commercialized utilizing graphene due to the high cost associated with the production of graphene. Therefore, a great deal of effort and research has been performed to produce a material that provides similar properties, reduced graphene oxide due (RGO) to the ease of commercial scaling of the production processes. This material is typically prepared through the oxidation of graphite in an aqueous media to graphene oxide (GO) followed by reduction to yield RGO. Although this material has been extensively studied, there is a lack of consistency in the scientific community regarding the analysis of the resulting RGO material. In this dissertation, a study of the reduction methods for GO and an alternate 2D carbon-based material, humic acid (HA), followed by analysis of the materials using Raman spectroscopy and Energy Dispersive X-ray Spectroscopy (EDS). Means of reduction will include chemical and thermal methods. Characterization of the material has been carried out on both before and after reduction.

  6. Heterostructures based on two-dimensional layered materials and their potential applications

    KAUST Repository

    Li, Ming-yang


    The development of two-dimensional (2D) layered materials is driven by fundamental interest and their potential applications. Atomically thin 2D materials provide a wide range of basic building blocks with unique electrical, optical, and thermal properties which do not exist in their bulk counterparts. The van der Waals interlayer interaction enables the possibility to exfoliate and reassemble different 2D materials into arbitrarily and vertically stacked heterostructures. Recently developed vapor phase growth of 2D materials further paves the way of directly synthesizing vertical and lateral heterojunctions. This review provides insights into the layered 2D heterostructures, with a concise introduction to preparative approaches for 2D materials and heterostructures. These unique 2D heterostructures have abundant implications for many potential applications.

  7. Mechanism of Electrochemical Delamination of Two-Dimensional Materials from Their Native Substrates by Bubbling

    Directory of Open Access Journals (Sweden)

    Jie Sun


    Full Text Available A capacitor-based circuit model is proposed to explain the electrochemical delamination of two-dimensional materials from their native substrates where produced gas bubbles squeeze into the interface. The delamination is actually the electric breakdown of the capacitor formed between the solution and substrate. To facilitate the procedure, the backside of the ubstrate has to be shielded so that the capacitor breakdown voltage can be reached. The screening effect can be induced either by nonreactive ions around the electrode or, more effectively, by an undetachable insulator. This mechanism serves as a guideline for the surface science and applications involving the bubbling delamination.

  8. Quasiparticle GW calculations for solids, molecules, and two-dimensional materials

    DEFF Research Database (Denmark)

    Hüser, Falco; Olsen, Thomas; Thygesen, Kristian Sommer


    We present a plane-wave implementation of the GW approximation within the projector augmented wave method code GPAW. The computed band gaps of ten bulk semiconductors and insulators deviate on average by 0.2eV (~5%) from the experimental values, the only exception being ZnO where the calculated...... band gap is around 1eV too low. Similar relative deviations are found for the ionization potentials of a test set of 32 small molecules. The importance of substrate screening for a correct description of quasiparticle energies and Fermi velocities in supported two-dimensional (2D) materials...

  9. Anomalous screening in two-dimensional materials with an extremum ring in the dispersion law (United States)

    Kolomeisky, Eugene B.; Straley, Joseph P.


    A variety of two-dimensional materials possess a band structure with an energy extremal ridge along a ring in momentum space. Examples are biased bilayer graphene and surfaces and interfaces with a Rashba spin-orbit interaction where at low doping the carriers fill an annulus. This topological feature causes an anomalous screening behavior, which we study using the Thomas-Fermi theory. Specifically, reducing the doping is predicted to enhance the linear screening response, whereas at zero doping the size of the screening cloud surrounding a Coulomb impurity is found to increase as the cube root of the impurity charge.

  10. Chemically Integrated Inorganic-Graphene Two-Dimensional Hybrid Materials for Flexible Energy Storage Devices. (United States)

    Peng, Lele; Zhu, Yue; Li, Hongsen; Yu, Guihua


    State-of-the-art energy storage devices are capable of delivering reasonably high energy density (lithium ion batteries) or high power density (supercapacitors). There is an increasing need for these power sources with not only superior electrochemical performance, but also exceptional flexibility. Graphene has come on to the scene and advancements are being made in integration of various electrochemically active compounds onto graphene or its derivatives so as to utilize their flexibility. Many innovative synthesis techniques have led to novel graphene-based hybrid two-dimensional nanostructures. Here, the chemically integrated inorganic-graphene hybrid two-dimensional materials and their applications for energy storage devices are examined. First, the synthesis and characterization of different kinds of inorganic-graphene hybrid nanostructures are summarized, and then the most relevant applications of inorganic-graphene hybrid materials in flexible energy storage devices are reviewed. The general design rules of using graphene-based hybrid 2D materials for energy storage devices and their current limitations and future potential to advance energy storage technologies are also discussed.

  11. Atomically thin two-dimensional materials as hole extraction layers in organolead halide perovskite photovoltaic cells (United States)

    Kim, Yu Geun; Kwon, Ki Chang; Le, Quyet Van; Hong, Kootak; Jang, Ho Won; Kim, Soo Young


    Atomically thin two-dimensional materials such as MoS2, WS2, and graphene oxide (GO) are used as hole extraction layers (HEL) in organolead halide perovskites solar cells (PSCs) instead of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) HEL. MoS2 and WS2 layers with a polycrystalline structure were synthesized by a chemical deposition method using a uniformly spin-coated (NH4)MoS4 and (NH4)WS4 precursor solution. GO was synthesized by the oxidation of natural graphite powder using Hummers' method. The work functions of MoS2, WS2, and GO are measured to be 5.0, 4.95, and 5.1 eV, respectively. The X-ray diffraction spectrum indicated that the synthesized perovskite material is CH3NH3PbI3-xClx. The PSCs with the p-n junction structure were fabricated based on the CH3NH3PbI3-xClx perovskite layer. The power conversion efficiencies of the MoS2, WS2, and GO-based PSCs were 9.53%, 8.02%, and 9.62%, respectively, which are comparable to those obtained from PEDOT:PSS-based devices (9.93%). These results suggest that two-dimensional materials such as MoS2, WS2, and GO can be promising candidates for the formation of HELs in the PSCs.

  12. Energy transfer pathways in semiconducting carbon nanotubes revealed using two-dimensional white-light spectroscopy (United States)

    Mehlenbacher, Randy D.; McDonough, Thomas J.; Grechko, Maksim; Wu, Meng-Yin; Arnold, Michael S.; Zanni, Martin T.


    Thin film networks of highly purified semiconducting carbon nanotubes (CNTs) are being explored for energy harvesting and optoelectronic devices because of their exceptional transport and optical properties. The nanotubes in these films are in close contact, which permits energy to flow through the films, although the pathways and mechanisms for energy transfer are largely unknown. Here we use a broadband continuum to collect femtosecond two-dimensional white-light spectra. The continuum spans 500 to 1,300 nm, resolving energy transfer between all combinations of bandgap (S1) and higher (S2) transitions. We observe ultrafast energy redistribution on the S2 states, non-Förster energy transfer on the S1 states and anti-correlated energy levels. The two-dimensional spectra reveal competing pathways for energy transfer, with S2 excitons taking routes depending on the bandgap separation, whereas S1 excitons relax independent of the bandgap. These observations provide a basis for understanding and ultimately controlling the photophysics of energy flow in CNT-based devices.

  13. Intrinsically patterned two-dimensional materials for selective adsorption of molecules and nanoclusters (United States)

    Lin, X.; Lu, J. C.; Shao, Y.; Zhang, Y. Y.; Wu, X.; Pan, J. B.; Gao, L.; Zhu, S. Y.; Qian, K.; Zhang, Y. F.; Bao, D. L.; Li, L. F.; Wang, Y. Q.; Liu, Z. L.; Sun, J. T.; Lei, T.; Liu, C.; Wang, J. O.; Ibrahim, K.; Leonard, D. N.; Zhou, W.; Guo, H. M.; Wang, Y. L.; Du, S. X.; Pantelides, S. T.; Gao, H.-J.


    Two-dimensional (2D) materials have been studied extensively as monolayers, vertical or lateral heterostructures. To achieve functionalization, monolayers are often patterned using soft lithography and selectively decorated with molecules. Here we demonstrate the growth of a family of 2D materials that are intrinsically patterned. We demonstrate that a monolayer of PtSe2 can be grown on a Pt substrate in the form of a triangular pattern of alternating 1T and 1H phases. Moreover, we show that, in a monolayer of CuSe grown on a Cu substrate, strain relaxation leads to periodic patterns of triangular nanopores with uniform size. Adsorption of different species at preferred pattern sites is also achieved, demonstrating that these materials can serve as templates for selective self-assembly of molecules or nanoclusters, as well as for the functionalization of the same substrate with two different species.

  14. Two-dimensional modeling of volatile organic compounds adsorption onto beaded activated carbon. (United States)

    Tefera, Dereje Tamiru; Jahandar Lashaki, Masoud; Fayaz, Mohammadreza; Hashisho, Zaher; Philips, John H; Anderson, James E; Nichols, Mark


    A two-dimensional heterogeneous computational fluid dynamics model was developed and validated to study the mass, heat, and momentum transport in a fixed-bed cylindrical adsorber during the adsorption of volatile organic compounds (VOCs) from a gas stream onto a fixed bed of beaded activated carbon (BAC). Experimental validation tests revealed that the model predicted the breakthrough curves for the studied VOCs (acetone, benzene, toluene, and 1,2,4-trimethylbenzene) as well as the pressure drop and temperature during benzene adsorption with a mean relative absolute error of 2.6, 11.8, and 0.8%, respectively. Effects of varying adsorption process variables such as carrier gas temperature, superficial velocity, VOC loading, particle size, and channelling were investigated. The results obtained from this study are encouraging because they show that the model was able to accurately simulate the transport processes in an adsorber and can potentially be used for enhancing absorber design and operation.

  15. An intrinsic growth instability in isotropic materials leads to quasi-two-dimensional nanoplatelets (United States)

    Riedinger, Andreas; Ott, Florian D.; Mule, Aniket; Mazzotti, Sergio; Knüsel, Philippe N.; Kress, Stephan J. P.; Prins, Ferry; Erwin, Steven C.; Norris, David J.


    Colloidal nanoplatelets are atomically flat, quasi-two-dimensional sheets of semiconductor that can exhibit efficient, spectrally pure fluorescence. Despite intense interest in their properties, the mechanism behind their highly anisotropic shape and precise atomic-scale thickness remains unclear, and even counter-intuitive for commonly studied nanoplatelets that arise from isotropic crystal structures (such as zincblende CdSe and lead halide perovskites). Here we show that an intrinsic instability in growth kinetics can lead to such highly anisotropic shapes. By combining experimental results on the synthesis of CdSe nanoplatelets with theory predicting enhanced growth on narrow surface facets, we develop a model that explains nanoplatelet formation as well as observed dependencies on time and temperature. Based on standard concepts of volume, surface and edge energies, the resulting growth instability criterion can be directly applied to other crystalline materials. Thus, knowledge of this previously unknown mechanism for controlling shape at the nanoscale can lead to broader libraries of quasi-two-dimensional materials.

  16. The stability of aluminium oxide monolayer and its interface with two-dimensional materials. (United States)

    Song, Ting Ting; Yang, Ming; Chai, Jian Wei; Callsen, Martin; Zhou, Jun; Yang, Tong; Zhang, Zheng; Pan, Ji Sheng; Chi, Dong Zhi; Feng, Yuan Ping; Wang, Shi Jie


    The miniaturization of future electronic devices requires the knowledge of interfacial properties between two-dimensional channel materials and high-κ dielectrics in the limit of one atomic layer thickness. In this report, by combining particle-swarm optimization method with first-principles calculations, we present a detailed study of structural, electronic, mechanical, and dielectric properties of Al2O3 monolayer. We predict that planar Al2O3 monolayer is globally stable with a direct band gap of 5.99 eV and thermal stability up to 1100 K. The stability of this high-κ oxide monolayer can be enhanced by substrates such as graphene, for which the interfacial interaction is found to be weak. The band offsets between the Al2O3 monolayer and graphene are large enough for electronic applications. Our results not only predict a stable high-κ oxide monolayer, but also improve the understanding of interfacial properties between a high-κ dielectric monolayer and two-dimensional material.

  17. Surface science using radioactive ions at ISOLDE: from metal surfaces to two-dimensional materials (United States)

    Potzger, K.; E Mølholt, T.; Fenta, A. S.; Pereira, L. M. C.


    We review the research carried out using the apparatus for surface physics and interfaces (ASPIC), at ISOLDE, CERN. We give an overview of the research highlights since 2000, focusing on magnetic and non-magnetic metallic surfaces, and introduce the scientific program that will follow the upgrade which is currently underway, focusing on two-dimensional materials. ASPIC was formerly used for the growth of ultrathin metallic films and their characterization by means of perturbed angular correlation spectroscopy. Past research has mainly focused on the determination of the magnetic hyperfine field at the probe atom located on different sites at the surface such as terraces, kinks, steps as well as on the investigation of the static magnetic polarization at the interface between ferromagnetic and paramagnetic layers. Future research on two-dimensional materials using ASPIC is foreseen to focus on the investigation of structural and electronic properties of adatoms (adsorption sites, hybridization effects, intra-atomic charge transfer, magnetic moments, etc). We emphasize, in this context, the exceptional capabilities of ASPIC in terms of broad applicability, high precision and low detection limits.

  18. Synthesis of graphene and related two-dimensional materials for bioelectronics devices. (United States)

    Zhang, Tao; Liu, Jilun; Wang, Cheng; Leng, Xuanye; Xiao, Yao; Fu, Lei


    In recent years, graphene and related two-dimensional (2D) materials have emerged as exotic materials in nearly every fields of fundamental science and applied engineering. The latest progress has shown that these 2D materials could have a profound impact on bioelectronics devices. For the construction of these bioelectronics devices, these 2D materials were generally synthesized by the processes of exfoliation and chemical vapor deposition. In particular, the macrostructures of these 2D materials have also been realized by these two processes, which have shown great potentials in the self-supported and special-purpose biosensors. Due to the high specific surface area, subtle electron properties, abundant surface atoms of these 2D materials, the as-constructed bioelectronics devices have exhibited enhanced performance in the sensing of small biomolecules, heavy metals, pH, protein and DNA. The aim of this review article is to provide a comprehensive scientific progress in the synthesis of 2D materials for the construction of five typical bioelectronics devices (electrochemical biosensors, FET-based biosensors, piezoelectric devices, electrochemiluminescence devices and supercapacitors) and to overview the present status and future perspective of the applications of these bioelectronics devices based on 2D materials.

  19. Biomolecular interactions of emerging two-dimensional materials with aromatic amino acids (United States)

    Mallineni, Sai Sunil Kumar; Karakaya, Mehmet; Podila, Ramakrishna; Rao, Apparao

    The present work experimentally investigates the interaction of aromatic amino acids, viz., tyrosine, tryptophan, and phenylalanine with novel two-dimensional (2D) materials including graphene (G), graphene oxide (GO), and boron nitride (BN). Photoluminescence, micro-Raman spectroscopy and cyclic voltammetry were employed to investigate the nature of interactions and possible charge transfer between 2D materials and amino acids. Consistent with previous theoretical studies, graphene and BN were observed to interact with amino acids through π- π interactions. Furthermore, we found that GO exhibits strong interactions with tryptophan and tyrosine as compared to graphene and BN, which we attribute to the formation of H-bonds between tryptophan and GO as shown theoretically in Ref. 2. On the other hand, phenylalanine did not exhibit much difference in interactions with G, GO, and BN. Clemson Nanomaterials Center, Clemson University, Clemson, SC, USA.

  20. Two-dimensional nanoscale correlations in the strong negative thermal expansion material ScF3 (United States)

    Handunkanda, Sahan U.; Occhialini, Connor A.; Said, Ayman H.; Hancock, Jason N.


    We present diffuse x-ray scattering data on the strong negative thermal expansion (NTE) material ScF3 and find that two-dimensional nanoscale correlations exist at momentum-space regions associated with possibly rigid rotations of the perovskite octahedra. We address the extent to which rigid octahedral motion describes the dynamical fluctuations behind NTE by generalizing a simple model supporting a single floppy mode that is often used to heuristically describe instances of NTE. We find this model has tendencies toward dynamic inhomogeneities and its application to recent and existing experimental data suggest an intricate link between the nanometer correlation length scale, the energy scale for octahedral tilt fluctuations, and the coefficient of thermal expansion in ScF3. We then investigate the breakdown of the rigid limit and propose a resolution to an outstanding debate concerning the role of molecular rigidity in strong NTE materials.

  1. Ultrathin Two-Dimensional Nanostructured Materials for Highly Efficient Water Oxidation. (United States)

    Zhang, Wang; Zhou, Kun


    Water oxidation, also known as the oxygen evolution reaction (OER), is a crucial process in energy conversion and storage, especially in water electrolysis. The critical challenge of the electrochemical water splitting technology is to explore alternative precious-metal-free catalysts for the promotion of the kinetically sluggish OER. Recently, emerging two-dimensional (2D) ultrathin materials with abundant accessible active sites and improved electrical conductivity provide an ideal platform for the synthesis of promising OER catalysts. This Review focuses on the most recent advances in ultrathin 2D nanostructured materials for enhanced electrochemical activity of the OER. The design, synthesis and performance of such ultrathin 2D nanomaterials-based OER catalysts and their property-structure relationships are discussed, providing valuable insights to the exploration of novel OER catalysts with high efficiency and low overpotential. The potential research directions are also proposed in the research field. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Multiscale Analysis for Field-Effect Penetration through Two-Dimensional Materials. (United States)

    Tian, Tian; Rice, Peter; Santos, Elton J G; Shih, Chih-Jen


    Gate-tunable two-dimensional (2D) materials-based quantum capacitors (QCs) and van der Waals heterostructures involve tuning transport or optoelectronic characteristics by the field effect. Recent studies have attributed the observed gate-tunable characteristics to the change of the Fermi level in the first 2D layer adjacent to the dielectrics, whereas the penetration of the field effect through the one-molecule-thick material is often ignored or oversimplified. Here, we present a multiscale theoretical approach that combines first-principles electronic structure calculations and the Poisson-Boltzmann equation methods to model penetration of the field effect through graphene in a metal-oxide-graphene-semiconductor (MOGS) QC, including quantifying the degree of "transparency" for graphene two-dimensional electron gas (2DEG) to an electric displacement field. We find that the space charge density in the semiconductor layer can be modulated by gating in a nonlinear manner, forming an accumulation or inversion layer at the semiconductor/graphene interface. The degree of transparency is determined by the combined effect of graphene quantum capacitance and the semiconductor capacitance, which allows us to predict the ranking for a variety of monolayer 2D materials according to their transparency to an electric displacement field as follows: graphene > silicene > germanene > WS2 > WTe2 > WSe2 > MoS2 > phosphorene > MoSe2 > MoTe2, when the majority carrier is electron. Our findings reveal a general picture of operation modes and design rules for the 2D-materials-based QCs.

  3. Two-Dimensional Materials for Halide Perovskite-Based Optoelectronic Devices. (United States)

    Chen, Shan; Shi, Gaoquan


    Halide perovskites have high light absorption coefficients, long charge carrier diffusion lengths, intense photoluminescence, and slow rates of non-radiative charge recombination. Thus, they are attractive photoactive materials for developing high-performance optoelectronic devices. These devices are also cheap and easy to be fabricated. To realize the optimal performances of halide perovskite-based optoelectronic devices (HPODs), perovskite photoactive layers should work effectively with other functional materials such as electrodes, interfacial layers and encapsulating films. Conventional two-dimensional (2D) materials are promising candidates for this purpose because of their unique structures and/or interesting optoelectronic properties. Here, we comprehensively summarize the recent advancements in the applications of conventional 2D materials for halide perovskite-based photodetectors, solar cells and light-emitting diodes. The examples of these 2D materials are graphene and its derivatives, mono- and few-layer transition metal dichalcogenides (TMDs), graphdiyne and metal nanosheets, etc. The research related to 2D nanostructured perovskites and 2D Ruddlesden-Popper perovskites as efficient and stable photoactive layers is also outlined. The syntheses, functions and working mechanisms of relevant 2D materials are introduced, and the challenges to achieving practical applications of HPODs using 2D materials are also discussed. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Improvement of the electrical contact resistance at rough interfaces using two dimensional materials

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Jianchen; Pan, Chengbin; Lanza, Mario, E-mail: [Institute of Functional Nano & Soft Materials (FUNSOM), Collaborative Innovation Center of Suzhou Nanoscience and Technology, Soochow University, 199 Ren-Ai Road, Suzhou 215123 (China); Li, Heng [State Key Laboratory for Turbulence and Complex System, Department of Mechanics and Engineering Science, College of Engineering, Peking University, Beijing 100871 (China); CAPT, HEDPS and IFSA Collaborative Innovation Center of MoE, Peking University, Beijing 100871 (China); Shen, Panpan; Sun, Hui; Duan, Huiling [State Key Laboratory for Turbulence and Complex System, Department of Mechanics and Engineering Science, CAPT, College of Engineering, Peking University, Beijing 100871 (China)


    Reducing the electronic contact resistance at the interfaces of nanostructured materials is a major goal for many kinds of planar and three dimensional devices. In this work, we develop a method to enhance the electronic transport at rough interfaces by inserting a two dimensional flexible and conductive graphene sheet. We observe that an ultra-thin graphene layer with a thickness of 0.35 nm can remarkably reduce the roughness of a sample in a factor of 40%, avoiding the use of thick coatings, leading to a more homogeneous current flow, and extraordinarily increasing the total current compared to the graphene-free counterpart. Due to its simplicity and performance enhancement, this methodology can be of interest to many interface and device designers.

  5. Piezoelectricity in two-dimensional materials: Comparative study between lattice dynamics and ab initio calculations (United States)

    Michel, K. H.; ćakır, D.; Sevik, C.; Peeters, F. M.


    The elastic constant C11 and piezoelectric stress constant e1 ,11 of two-dimensional (2D) dielectric materials comprising h-BN, 2 H -MoS2 , and other transition-metal dichalcogenides and dioxides are calculated using lattice dynamical theory. The results are compared with corresponding quantities obtained with ab initio calculations. We identify the difference between clamped-ion and relaxed-ion contributions with the dependence on inner strains which are due to the relative displacements of the ions in the unit cell. Lattice dynamics allows us to express the inner-strain contributions in terms of microscopic quantities such as effective ionic charges and optoacoustical couplings, which allows us to clarify differences in the piezoelectric behavior between h-BN and MoS2. Trends in the different microscopic quantities as functions of atomic composition are discussed.

  6. Simple Screened Hydrogen Model of Excitons in Two-Dimensional Materials

    DEFF Research Database (Denmark)

    Olsen, Thomas; Latini, Simone; Rasmussen, Filip Anselm;


    We present a generalized hydrogen model for the binding energies (EB) and radii of excitons in two-dimensional (2D) materials that sheds light on the fundamental differences between excitons in two and three dimensions. In contrast to the well-known hydrogen model of three-dimensional (3D) excitons...... the recently observed linear scaling of exciton binding energies with band gap. It is also shown that the model accurately reproduces the nonhydrogenic Rydberg series in WS2 and can account for screening from the environment....... that only depends on the excitonic mass and the 2D polarizability α. The model is shown to produce accurate results for 51 transition metal dichalcogenides. Remarkably, over a wide range of polarizabilities the binding energy becomes independent of the mass and we obtain E2DB≈3/(4πα), which explains...

  7. δ-Phosphorene: a two dimensional material with a highly negative Poisson's ratio. (United States)

    Wang, Haidi; Li, Xingxing; Li, Pai; Yang, Jinlong


    As a basic mechanical parameter, Poisson's ratio (ν) measures the mechanical responses of solids against external loads. In rare cases, materials have a negative Poisson's ratio (NPR), and present an interesting auxetic effect. That is, when a material is stretched in one direction, it will expand in the perpendicular direction. To design modern nanoscale electromechanical devices with special functions, two dimensional (2D) auxetic materials are highly desirable. In this work, based on first principles calculations, we rediscover the previously proposed δ-phosphorene (δ-P) nanosheets [Jie Guan, et al., Phys. Rev. Lett., 2014, 113, 046804] which are good auxetic materials with a high NPR. The results show that the Young's modulus and Poisson's ratio of δ-P are all anisotropic. The NPR value along the grooved direction is up to -0.267, which is much higher than the recently reported 2D auxetic materials. The auxetic effect of δ-P originating from its puckered structure is robust and insensitive to the number of layers due to weak interlayer interactions. Moreover, δ-P possesses good flexibility because of its relatively small Young's modulus and high critical crack strain. If δ-P can be synthesized, these extraordinary properties would endow it with great potential in designing low dimensional electromechanical devices.

  8. Stability and electronic structure of two-dimensional allotropes of group-IV materials (United States)

    Matusalem, Filipe; Marques, Marcelo; Teles, Lara K.; Bechstedt, Friedhelm


    We study six different two-dimensional (2D) allotropes of carbon, silicon, germanium, and tin by means of the ab initio density functional theory for the ground state and approximate methods to calculate their electronic structures, including quasiparticle effects. Four of the investigated allotropes are based on dumbbell geometries, one on a kagome lattice, and one on the graphenelike hexagonal structure for comparison. Concerning carbon, our calculations of the cohesive energies clearly show that the hexagonal structure (graphene) is most stable. However, in the case of Si and Ge, the dumbbell structures, particularly the large honeycomb dumbbell (LHD) geometries, are energetically favored compared to the s p2/s p3 -bonded hexagonal lattice (i.e., silicene and germanene). The main reason for this is the opening of a band gap in the honeycomb dumbbell arrangements. The LHD sheet crystals represent indirect semiconductors with a K →Γ gap of about 0.5 eV. In the Sn case we predict the MoS2-like symmetry to be more stable, in contrast to the stanene and LHD geometries predicted in literature. Our results for freestanding group-IV layers shine new light on recent experimental studies of group-IV overlayers on various substrates.

  9. Phonon transport properties of two-dimensional group-IV materials from ab initio calculations (United States)

    Peng, Bo; Zhang, Hao; Shao, Hezhu; Xu, Yuanfeng; Ni, Gang; Zhang, Rongjun; Zhu, Heyuan


    It has been argued that stanene has lowest lattice thermal conductivity among two-dimensional (2D) group-IV materials because of its largest atomic mass, weakest interatomic bonding, and enhanced ZA phonon scattering due to the breaking of an out-of-plane symmetry selection rule. However, we show that, although the lattice thermal conductivity κ for graphene, silicene, and germanene decreases monotonically with decreasing Debye temperature, unexpected higher κ is observed in stanene. By enforcing all the invariance conditions in 2D materials and including Ge 3 d and Sn 4 d electrons as valence electrons for germanene and stanene, respectively, the lattice dynamics in these materials are accurately described. A large acoustic-optical gap and the bunching of the acoustic-phonon branches significantly reduce phonon scattering in stanene, leading to higher thermal conductivity than germanene. The vibrational origin of the acoustic-optical gap can be attributed to the buckled structure. Interestingly, a buckled system has two competing influences on phonon transport: the breaking of the symmetry selection rule leads to reduced thermal conductivity, and the enlarging of the acoustic-optical gap results in enhanced thermal conductivity. The size dependence of thermal conductivity is investigated as well. In nanoribbons, the κ of silicene, germanene, and stanene is much less sensitive to size effect due to their short intrinsic phonon mean-free paths. This work sheds light on the nature of phonon transport in buckled 2D materials.

  10. DNA sequencing by two-dimensional materials: As theoretical modeling meets experiments. (United States)

    Liang, Lijun; Shen, Jia-Wei; Zhang, Zhisen; Wang, Qi


    Owing to their extraordinary electrical, chemical, optical, mechanical and structural properties, two-dimensional (2D) materials (mainly including graphene, boron nitride, MoS2 etc.) have stimulated exploding interests in sensor applications. 2D-material based nanoscale DNA sequencing is a single-molecule technique with revolutionary potential. In this paper, we review the methodology of DNA sequencing based on the measurements of ionic current, force peak, and transverse electrical currents etc. by 2D materials. The advantages and disadvantages of DNA sequencing by 2D materials are discussed. Besides the recent development of experiments, we will focus on the theoretical calculations of DNA sequencing, which have been played a critical role in the development of this field. Special emphasis will focus on the disagreements between experiments and theoretical calculations, and the explanations for the discrepancy will be highlighted. Finally, some new plausible sequencing methods from computational studies will be discussed, which may be applied in the realistic DNA sequencing experiments in future.

  11. Bending Two-Dimensional Materials To Control Charge Localization and Fermi-Level Shift. (United States)

    Yu, Liping; Ruzsinszky, Adrienn; Perdew, John P


    High-performance electronics requires the fine control of semiconductor conductivity. In atomically thin two-dimensional (2D) materials, traditional doping technique for controlling carrier concentration and carrier type may cause crystal damage and significant mobility reduction. Contact engineering for tuning carrier injection and extraction and carrier type may suffer from strong Fermi-level pinning. Here, using first-principles calculations, we predict that mechanical bending, as a unique attribute of thin 2D materials, can be used to control conductivity and Fermi-level shift. We find that bending can control the charge localization of top valence bands in both MoS2 and phosphorene nanoribbons. The donor-like in-gap edge-states of armchair MoS2 ribbon and their associated Fermi-level pinning can be removed by bending. A bending-controllable new in-gap state and accompanying direct-indirect gap transition are predicted in armchair phosphorene nanoribbon. We demonstrate that such emergent bending effects are realizable. The bending stiffness as well as the effective thickness of 2D materials are also derived from first principles. Our results are of fundamental and technological relevance and open new routes for designing functional 2D materials for applications in which flexuosity is essential.

  12. The properties of optimal two-dimensional phononic crystals with different material contrasts (United States)

    Liu, Zong-Fa; Wu, Bin; He, Cun-Fu


    By modifying the spatial distribution of constituent material phases, phononic crystals (PnCs) can be designed to exhibit band gaps within which sound and vibration cannot propagate. In this paper, the developed topology optimization method (TOM), based on genetic algorithms (GAs) and the finite element method (FEM), is proposed to design two-dimensional (2D) solid PnC structures composed of two contrasting elastic materials. The PnCs have the lowest order band gap that is the third band gap for the coupled mode, the first band gap for the shear mode or the XY 34 Z band gap for the mixed mode. Moreover, the effects of the ratios of contrasting material properties on the optimal layout of unit cells and the corresponding phononic band gaps (PBGs) are investigated. The results indicate that the topology of the optimal PnCs and corresponding band gaps varies with the change of material contrasts. The law can be used for the rapid design of desired PnC structures.

  13. Structural semiconductor-to-semimetal phase transition in two-dimensional materials induced by electrostatic gating. (United States)

    Li, Yao; Duerloo, Karel-Alexander N; Wauson, Kerry; Reed, Evan J


    Dynamic control of conductivity and optical properties via atomic structure changes is of technological importance in information storage. Energy consumption considerations provide a driving force towards employing thin materials in devices. Monolayer transition metal dichalcogenides are nearly atomically thin materials that can exist in multiple crystal structures, each with distinct electrical properties. By developing new density functional-based methods, we discover that electrostatic gating device configurations have the potential to drive structural semiconductor-to-semimetal phase transitions in some monolayer transition metal dichalcogenides. Here we show that the semiconductor-to-semimetal phase transition in monolayer MoTe2 can be driven by a gate voltage of several volts with appropriate choice of dielectric. We find that the transition gate voltage can be reduced arbitrarily by alloying, for example, for Mo(x)W(1-x)Te2 monolayers. Our findings identify a new physical mechanism, not existing in bulk materials, to dynamically control structural phase transitions in two-dimensional materials, enabling potential applications in phase-change electronic devices.

  14. Existence of semi-Dirac cones and symmetry of two-dimensional materials. (United States)

    Damljanovic, Vladimir; Gajic, Rados


    There have been growing efforts in finding new two-dimensional (2D) materials with anisotropic properties due to their potential applications in electronics. Although in such a search, a symmetry based analysis can be useful, it has not been reported so far. By use of group theory we have found sufficient conditions for the existence of linear dispersion in one direction and quadratic one in perpendicular direction, in the vicinity of points of symmetry in the Brillouin zone (BZ) of any non-magnetic, 2D material with negligible spin-orbit coupling. We have formulated a set of symmetry conditions that lead to the semi-Dirac dispersion and analyzed all possible symmetries of 2D materials. In four, out of all eighty symmetry groups, combined time-reversal and crystal symmetry leads, at given points in the BZ, to such dispersion. The result is valid irrespectively of strength of electronic correlations in the system, model used to calculate the band structure or the actual crystal structure that realizes given groups. We have illustrated our findings by a tight-binding example.

  15. Size effect on brittle and ductile fracture of two-dimensional interlinked carbon nanotube network (United States)

    Jing, Yuhang; Aluru, N. R.


    The mechanical properties of two-dimensional (2D) interlinked carbon nanotube (CNT) network are investigated using ab initio calculation and molecular dynamics simulations (MD) with Reaxff force field. The simulation results show that bulk 2D interlinked CNT network has good mechanical properties along the axial direction which can be comparable to that of single-walled CNT and graphene, but has better ductility along the radial direction than single-walled CNT and graphene. In addition, the mechanical properties of 2D interlinked CNT network ribbon along the radial direction depend strongly on the size of the ribbon. The Young's modulus and Poisson's ratio decrease as the size increases while the fracture strain increases with the size increasing. By analyzing the atomic structural (both bond length and atomic von Mises stress) evolution of the ribbons, the mechanism of a brittle-to-ductile transition is revealed. The exploration of the mechanical properties of the 2D interlinked CNT network paves the way for application of the relevant devices that can benefit from the high Young's modulus, high tensile strength, and good ductility.

  16. Design for a spin-Seebeck diode based on two-dimensional materials

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Hua-Hua; Wu, Dan-Dan; Gu, Lei; Wu, Menghao; Wu, Ruqian


    Studies of the spin-Seebeck effect (SSE) are very important for the development of fundamental science and novel low-power-consumption technologies. The spin-Seebeck diode (SSD), in which the spin current can be driven by a forward temperature gradient but not by a reverse temperature gradient, is a key unit in spin caloritronic devices. Here, we propose a SSD design using two-dimensional (2D) materials such as silicene and phosphorene nanoribbons as the source and drain. Due to their unique band structures and magnetic states, thermally driven spin-up and spin-down currents flow in opposite directions. This mechanism is different from that of the previous one, which uses two permalloy circular disks [Phys. Rev. Lett. 112, 047203 (2014)], and the SSD in our design can be easily integrated with gate voltage control. Since the concept of this design is rather general and applicable to many 2D materials, it is promising for the realization and exploitation of SSDs in nanodevices.

  17. Effect of the glass wool material on the two-dimensional steel-air phononic crystal (United States)

    Yu, Kunpeng; Chen, Tianning; Wang, Xiaopeng; Li, Yinggang


    Using the finite-element method, the propagation behaviors of acoustic waves in a new two-dimensional phononic crystal (PC) composed of slotted steel tube periodically placed in air matrix are investigated. Unlike traditional PCs, the tube inclusions here are not hollow but filled with the glass wool (GW) material. By calculating dispersion relations and transmission spectra of the PC, the effect of GW on PCs is studied. Numerical results show that the presence of GW can shift the first band gap to lower frequencies while it has little effect on the second band gap; meanwhile it can also enhance the sound attenuation of PCs in the pass band frequencies, resulting in the decrease of noise in the whole frequency range. The analysis of acoustic eigenmodes shows that GW affects the band and transmission performances mainly through changing the resonance of the internal cavity inside the tube and meanwhile the sound-absorbing ability of GW itself. Furthermore, some parameters of GW are studied for their effects on the sound-propagation properties of PCs. Results show that the transmission behaviors can be significantly modulated by parameters such as the surface exposure degree, mean fiber diameter and the material's apparent density of GW.

  18. Bottom-up synthesis of vertically oriented two-dimensional materials (United States)

    Vilá, R. A.; Momeni, K.; Wang, Q.; Bersch, B. M.; Lu, N.; Kim, M. J.; Chen, L. Q.; Robinson, J. A.


    Understanding nucleation and growth of two-dimensional (2D) and layered materials is a challenging topic due to the complex van der Waals interactions between layers and substrate. The morphology of 2D materials is known vary depending on experimental conditions. For the case of MoS2, the morphology has been shown to vary from rounded (molybdenum rich) domains to equilateral triangular (sulfur rich) domains. These different morphologies can result in drastically different properties, which can be exploited for applications in catalytic reactions, digital electronics, optoelectronics, and energy storage. Powder vaporization (PV) synthesis of molybdenum disulfide (MoS2) can yield vertical domains, however, these domains are often ignored when the morphology evolution of MoS2 is discussed, thereby completely omitting a major part of the impact of the Mo:S ratio to the growth mode of MoS2 during PV. Combining experimental and numerical simulation methods, we reveal a vertical-to-horizontal growth mode transition for MoS2 that occurs in the presence of a molybdenum oxide partial pressure gradient. Transmission electron microscopy reveals that the growth of vertical MoS2 results from initial seeding of single crystalline molybdenum dioxide, followed by sulfurization from the substrate upward to form vertically oriented MoS2 domains.

  19. Improved design of cementless hip stems using two-dimensional functionally graded materials. (United States)

    Hedia, H S; Shabara, M A N; El-Midany, T T; Fouda, N


    Increasingly, it is acknowledged that bone resorption around cementless hip implants may cause future problems. The solution is frequently sought in reducing implant stiffness. However, this confronts the designer with a true design conflict: how to reduce the stiffness without excessively loading the proximal bone/prosthesis interface? The aim of this work is to improve the design of cementless hip stem material, using two-dimensional (2D) functionally graded material (FGM) concept in order to solve the above problems. Two models were used in this analysis, using three materials with different elastic moduli, E(1), E(2), and E(3). In model I, the elastic moduli E(1) and E(2) gradually change along the upper stem surface, while E(3) is maintained constant along all the lower surface of the stem. However, in model II, the elastic moduli E(1) and E(2) gradually change along the lower stem surface, while E(3) is maintained constant all along the upper stem surface. It is found that the recommended model is model I, which has three distinct materials of hydroxyapatite, Bioglass, and collagen. The recommended design of 2D FGM is expected to reduce the stress shielding by 91% and 12%, respectively, compared with titanium stem and model II of FGM. It is found that this new design reduces the maximum interface shear stress at the lateral and medial sides of the femur by about 50%, compared with titanium stem. Furthermore, the maximum interface shear stress is reduced by about 17% and 11% at the lateral and medial sides of the femur, respectively, compared with that of model II of FGM.

  20. Two-dimensional fracture analysis of piezoelectric material based on the scaled boundary node method (United States)

    Shen-Shen, Chen; Juan, Wang; Qing-Hua, Li


    A scaled boundary node method (SBNM) is developed for two-dimensional fracture analysis of piezoelectric material, which allows the stress and electric displacement intensity factors to be calculated directly and accurately. As a boundary-type meshless method, the SBNM employs the moving Kriging (MK) interpolation technique to an approximate unknown field in the circumferential direction and therefore only a set of scattered nodes are required to discretize the boundary. As the shape functions satisfy Kronecker delta property, no special techniques are required to impose the essential boundary conditions. In the radial direction, the SBNM seeks analytical solutions by making use of analytical techniques available to solve ordinary differential equations. Numerical examples are investigated and satisfactory solutions are obtained, which validates the accuracy and simplicity of the proposed approach. Project supported by the National Natural Science Foundation of China (Grant Nos. 11462006 and 21466012), the Foundation of Jiangxi Provincial Educational Committee, China (Grant No. KJLD14041), and the Foundation of East China Jiaotong University, China (Grant No. 09130020).

  1. Interfacial engineering of two-dimensional nano-structured materials by atomic layer deposition (United States)

    Zhuiykov, Serge; Kawaguchi, Toshikazu; Hai, Zhenyin; Karbalaei Akbari, Mohammad; Heynderickx, Philippe M.


    Atomic Layer Deposition (ALD) is an enabling technology which provides coating and material features with significant advantages compared to other existing techniques for depositing precise nanometer-thin two-dimensional (2D) nanostructures. It is a cyclic process which relies on sequential self-terminating reactions between gas phase precursor molecules and a solid surface. ALD is especially advantageous when the film quality or thickness is critical, offering ultra-high aspect ratios. ALD provides digital thickness control to the atomic level by depositing film one atomic layer at a time, as well as pinhole-free films even over a very large and complex areas. Digital control extends to sandwiches, hetero-structures, nano-laminates, metal oxides, graded index layers and doping, and it is perfect for conformal coating and challenging 2D electrodes for various functional devices. The technique's capabilities are presented on the example of ALD-developed ultra-thin 2D tungsten oxide (WO3) over the large area of standard 4" Si substrates. The discussed advantages of ALD enable and endorse the employment of this technique for the development of hetero-nanostructure 2D semiconductors with unique properties.

  2. van der Waals Heterojunction Devices Based on Organohalide Perovskites and Two-Dimensional Materials. (United States)

    Cheng, Hung-Chieh; Wang, Gongming; Li, Dehui; He, Qiyuan; Yin, Anxiang; Liu, Yuan; Wu, Hao; Ding, Mengning; Huang, Yu; Duan, Xiangfeng


    The recently emerged organohalide perovskites (e.g., CH3NH3PbI3) have drawn intense attention for high efficiency solar cells. However, with a considerable solubility in many solvents, these perovskites are not typically compatible with conventional lithography processes for more complicated device fabrications that are important for both fundamental studies and technological applications. Here, we report the creation of novel heterojunction devices based on perovskites and two-dimensional (2D) crystals by taking advantage of the layered characteristic of lead iodide (PbI2) and vapor-phase intercalation. We show that a graphene/perovskite/graphene vertical stack can deliver a highest photoresponsivity of ∼950 A/W and photoconductive gain of ∼2200, and a graphene/WSe2/perovskite/graphene heterojunction can display a high on/off ratio (∼10(6)) transistor behavior with distinct gate-tunable diode characteristics and open-circuit voltages. Such unique perovskite-2D heterostructures have significant potential for future optoelectronic research and can enable broad possibilities with compositional tunability of organohalide perovskites and the versatility offered by diverse 2D materials.

  3. Two-dimensional molybdenum carbides: potential thermoelectric materials of the MXene family. (United States)

    Khazaei, Mohammad; Arai, Masao; Sasaki, Taizo; Estili, Mehdi; Sakka, Yoshio


    A newly synthesized family of two-dimensional transition metal carbides and nitrides, so-called MXenes, exhibit metallic or semiconducting properties upon appropriate surface functionalization. Owing to their intrinsic ceramic nature, MXenes may be suitable for energy conversion applications at high temperature. Using the Boltzmann theory and first-principles electronic structure calculations, we explore the thermoelectric properties of monolayer and multilayer M2C (M = Sc, Ti, V, Zr, Nb, Mo, Hf, and Ta) and M2N (M = Ti, Zr, and Hf) MXenes functionalized with F, OH, and O groups. From our calculations, it turns out that monolayer and multilayer nanosheets of Mo2C acquire superior power factors to other MXenes upon any type of functionalization. We therefore propose the functionalized Mo2C nanosheets as potential thermoelectric materials of the MXene family. The exceptional thermoelectric properties of the functionalized Mo2C nanosheets are attributed to the peculiar t2g band shapes, which are a combination of flat and dispersive portions. These types of band shapes allow Mo2C to gain a large Seebeck coefficient and simultaneously a good electrical conductivity at low carrier concentrations.

  4. Thermoelectric materials by using two-dimensional materials with negative correlation between electrical and thermal conductivity

    National Research Council Canada - National Science Library

    Lee, Myoung-Jae; Ahn, Ji-Hoon; Sung, Ji Ho; Heo, Hoseok; Jeon, Seong Gi; Lee, Woo; Song, Jae Yong; Hong, Ki-Ha; Choi, Byeongdae; Lee, Sung-Hoon; Jo, Moon-Ho


    ... as dimensions are reduced to approach the nanoscale were utilized. Here we present an approach to thermoelectric materials using tin disulfide, SnS2, nanosheets that demonstrated a negative correlation between σ and κ...

  5. Full molecular dynamics simulations of liquid water and carbon tetrachloride for two-dimensional Raman spectroscopy in the frequency domain

    CERN Document Server

    Jo, Ju-Yeon; Tanimura, Yoshitaka


    Frequency-domain two-dimensional Raman signals, which are equivalent to coherent two-dimensional Raman scattering (COTRAS) signals, for liquid water and carbon tetrachloride were calculated using an equilibrium-nonequilibrium hybrid MD simulation algorithm. We elucidate mechanisms governing the 2D signal pro?les involving anharmonic mode-mode coupling and the nonlinearities of the polarizability for the intermolecular and intramolecular vibrational modes. The predicted signal pro?les and intensities can be utilized to analyze recently developed single-beam 2D spectra, whose signals are generated from a coherently controlled pulse, allowing the single-beam measurement to be carried out more efficiently.

  6. Surface Reconstruction-Induced Coincidence Lattice Formation Between Two-Dimensionally Bonded Materials and a Three-Dimensionally Bonded Substrate

    NARCIS (Netherlands)

    Boschker, Jos E.; Momand, Jamo; Bragaglia, Valeria; Wang, Ruining; Perumal, Karthick; Giussani, Alessandro; Kooi, Bart J.; Riechert, Henning; Calarco, Raffaella


    Sb2Te3 films are used for studying the epitaxial registry between two-dimensionally bonded (2D) materials and three-dimensional bonded (3D) substrates. In contrast to the growth of 3D materials, it is found that the formation of coincidence lattices between Sb2Te3 and Si(111) depends on the geometry

  7. Enhanced supercapacitive performance of delaminated two-dimensional titanium carbide/carbon nanotube composites in alkaline electrolyte (United States)

    Yan, Pengtao; Zhang, Ruijun; Jia, Jin; Wu, Chao; Zhou, Aiguo; Xu, Jiang; Zhang, Xuesha


    MXenes, a new family of two-dimensional materials, are terminated by O, OH and F groups. The existence of the oxygen-containing functional groups indicates a potential application in supercapacitor based on a redox mechanism. However, the irreversible stacking of MXenes will lead to an insufficient utilization of these functional groups and thus a decrease in the supercapacitive performance. To solve the problem, we synthesized a composite material comprised of carbon nanotube (CNT) and Ti3C2 sheets (d-Ti3C2) delaminated from MXenes by ultrasonic stirring. The FTIR result suggests that the ultrasonication has no significant effect on the oxygen-containing functional groups. The resultant composites exhibit significantly higher volumetric capacitance and better capacitance retention (during 5-100 mv s-1) than d-Ti3C2. A highest volumetric capacitance of 393 F cm-3 at 5 mv s-1 in KOH electrolyte can be obtained when the weight ratio of d-Ti3C2 to CNT is 2:1. In addition, the volumetric capacitance has no significant degradation even after 10000 cycles in cycling stability test, showing an excellent cycling stability compared with metal oxides. These enhanced electrochemical performances can be ascribed to the introduction of CNTs, which impede the stacking of Ti3C2, enlarge the distance between Ti3C2 sheets and improve the electrical conductivity.

  8. Dispersive wave propagation in two-dimensional rigid periodic blocky materials with elastic interfaces (United States)

    Bacigalupo, Andrea; Gambarotta, Luigi


    Dispersive waves in two-dimensional blocky materials with periodic microstructure made up of equal rigid units, having polygonal centro-symmetric shape with mass and gyroscopic inertia, connected with each other through homogeneous linear interfaces, have been analyzed. The acoustic behavior of the resulting discrete Lagrangian model has been obtained through a Floquet-Bloch approach. From the resulting eigenproblem derived by the Euler-Lagrange equations for harmonic wave propagation, two acoustic branches and an optical branch are obtained in the frequency spectrum. A micropolar continuum model to approximate the Lagrangian model has been derived based on a second-order Taylor expansion of the generalized macro-displacement field. The constitutive equations of the equivalent micropolar continuum have been obtained, with the peculiarity that the positive definiteness of the second-order symmetric tensor associated to the curvature vector is not guaranteed and depends both on the ratio between the local tangent and normal stiffness and on the block shape. The same results have been obtained through an extended Hamiltonian derivation of the equations of motion for the equivalent continuum that is related to the Hill-Mandel macro homogeneity condition. Moreover, it is shown that the hermitian matrix governing the eigenproblem of harmonic wave propagation in the micropolar model is exact up to the second order in the norm of the wave vector with respect to the same matrix from the discrete model. To appreciate the acoustic behavior of some relevant blocky materials and to understand the reliability and the validity limits of the micropolar continuum model, some blocky patterns have been analyzed: rhombic and hexagonal assemblages and running bond masonry. From the results obtained in the examples, the obtained micropolar model turns out to be particularly accurate to describe dispersive functions for wavelengths greater than 3-4 times the characteristic dimension of

  9. Two-dimensional photonic crystals from semiconductor material with polymer filled holes

    NARCIS (Netherlands)

    Van der Heijden, R.; Kjellander, C.; Carlström, C.-F.; Snijders, J.; Van der Heijden, R.W.; Bastiaansen, K.; Broer, D.; Karouta, F.; Nötzel, R.; Van der Drift, E.


    Polymer filling of the air holes of indiumphosphide based two-dimensional photonic crystals is reported. The filling is performed by infiltration with a liquid monomer and solidification of the infill in situ by thermal polymerization. Complete hole filling is obtained with infiltration under ambien

  10. Two-dimensional monitoring of surface temperature distribution of a heated material by laser-ultrasound scanning (United States)

    Ihara, I.; Yamada, H.; Takahashi, M.


    A non-contact method with a laser-ultrasonic technique for measuring two-dimensional temperature distribution on a material surface is presented. The method consists of a laser-ultrasonic measurement of a one-dimensional temperature distribution on a material surface and its two-dimensional area mapping. The surface temperature is basically determined from a temperature dependence of the velocity of the surface acoustic wave (SAW) propagating on a material surface. One-dimensional surface temperature distributions are determined by an inverse analysis consisting of a SAW measurement and a finite difference calculation. To obtain a two-dimensional distribution of surface temperature on a material surface, SAW measurements within the area of a square on the surface are performed by a pulsed laser scanning with a galvanometer system. The inverse analysis is then applied to each of the SAW data to determine the surface temperature distribution in a certain direction, and the obtained one-dimensional distributions are combined to construct a two-dimensional distribution of surface temperature. It has been demonstrated from the experiment with a heated aluminum plate that the temperature distributions of the area of a square on the aluminium surface determined by the ultrasonic method almost agree with those measured using an infrared camera.

  11. Capacitance of two-dimensional titanium carbide (MXene) and MXene/carbon nanotube composites in organic electrolytes (United States)

    Dall'Agnese, Yohan; Rozier, Patrick; Taberna, Pierre-Louis; Gogotsi, Yury; Simon, Patrice


    Pseudocapacitive materials that store charges by fast redox reactions are promising candidates for designing high energy density electrochemical capacitors. MXenes - recently discovered two-dimensional carbides, have shown excellent capacitance in aqueous electrolytes, but in a narrow potential window, which limits both the energy and power density. Here, we investigated the electrochemical behavior of Ti3C2 MXene in 1M solution of 1-ethly-3-methylimidazolium bis- (trifluoromethylsulfonyl)-imide (EMITFSI) in acetonitrile and two other common organic electrolytes. This paper describes the use of clay, delaminated and composite Ti3C2 electrodes with carbon nanotubes in order to understand the effect of the electrode architecture and composition on the electrochemical performance. Capacitance values of 85 F g-1 and 245 F cm-3 were obtained at 2 mV s-1, with a high rate capability and good cyclability. In situ X-ray diffraction study reveals the intercalation of large EMI+ cations into MXene, which leads to increased capacitance, but may also be the rate limiting factor that determines the device performance.

  12. Two-dimensional photonic crystals from semiconductor material with polymer filled holes (United States)

    van der Heijden, Rob; Kjellander, Charlotte; Carlström, Carl-Fredrik; Snijders, Juri; van der Heijden, Rob W.; Bastiaansen, Kees; Broer, Dick; Karouta, Fouad; Nötzel, Richard; van der Drift, Emile; Salemink, Huub W. M.


    Polymer filling of the air holes of indiumphosphide based two-dimensional photonic crystals is reported. The filling is performed by infiltration with a liquid monomer and solidification of the infill in situ by thermal polymerization. Complete hole filling is obtained with infiltration under ambient pressure. This conclusion is based both on cross-sectional scanning electron microscope inspection of the filled samples as well as on optical transmission measurements.

  13. A theoretical study on the electronic property of a new two-dimensional material molybdenum dinitride

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Haiping, E-mail: [Department of Applied Physics, Nanjing University of Science and Technology, Nanjing 210094 (China); State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012 (China); Qian, Yan, E-mail: [Department of Applied Physics, Nanjing University of Science and Technology, Nanjing 210094 (China); Lu, Ruifeng; Tan, Weishi [Department of Applied Physics, Nanjing University of Science and Technology, Nanjing 210094 (China)


    Motivated by the recent synthesis of bulk MoN{sub 2} which exhibits the layered structure just like the bulk MoS{sub 2}, the monolayered MoN{sub 2} exfoliated from the bulk counterpart is investigated systematically by using density-functional calculations in this work. The result shows that the ground-state two-dimensional monolayered MoN{sub 2} behaves as an indirect band gap semiconductor with the energy gap of ∼0.12 eV. Subsequently, the external strain from −6% to 6% is employed to engineer the band structure, and the energy gap can be efficiently tuned from 0 to 0.70 eV. Notably, when the strain is beyond 5% or −3%, the two-dimensional monolayered MoN{sub 2} would transfer from an indirect band gap to a direct band gap semiconductor. This work introduces a new member of two-dimensional transition-metal family, which is important for industry applications, especially for the utilization in the long-wavelength infrared field. - Highlights: • The 2D MoN{sub 2} behaves as an indirect band gap semiconductor with the energy gap of ∼0.12 eV. • The energy gap can be efficiently tuned from 0 to 0.70 eV by small strain. • The band gap would transfer from an indirect to a direct one when the strain is beyond 5% or −3%.

  14. Two dimensional numerical prediction of deflagration-to-detonation transition in porous energetic materials. (United States)

    Narin, B; Ozyörük, Y; Ulas, A


    This paper describes a two-dimensional code developed for analyzing two-phase deflagration-to-detonation transition (DDT) phenomenon in granular, energetic, solid, explosive ingredients. The two-dimensional model is constructed in full two-phase, and based on a highly coupled system of partial differential equations involving basic flow conservation equations and some constitutive relations borrowed from some one-dimensional studies that appeared in open literature. The whole system is solved using an optimized high-order accurate, explicit, central-difference scheme with selective-filtering/shock capturing (SF-SC) technique, to augment central-diffencing and prevent excessive dispersion. The sources of the equations describing particle-gas interactions in terms of momentum and energy transfers make the equation system quite stiff, and hence its explicit integration difficult. To ease the difficulties, a time-split approach is used allowing higher time steps. In the paper, the physical model for the sources of the equation system is given for a typical explosive, and several numerical calculations are carried out to assess the developed code. Microscale intergranular and/or intragranular effects including pore collapse, sublimation, pyrolysis, etc. are not taken into account for ignition and growth, and a basic temperature switch is applied in calculations to control ignition in the explosive domain. Results for one-dimensional DDT phenomenon are in good agreement with experimental and computational results available in literature. A typical shaped-charge wave-shaper case study is also performed to test the two-dimensional features of the code and it is observed that results are in good agreement with those of commercial software. Copyright © 2014 Elsevier B.V. All rights reserved.

  15. Green's function modeling of response of two-dimensional materials to point probes for scanning probe microscopy (United States)

    Tewary, V. K.; Quardokus, Rebecca C.; DelRio, Frank W.


    A Green's function (GF) method is developed for interpreting scanning probe microscopy (SPM) measurements on new two-dimensional (2D) materials. GFs for the Laplace/Poisson equations are calculated by using a virtual source method for two separate cases of a finite material containing a rectangular defect and a hexagonal defect. The prescribed boundary values are reproduced almost exactly by the calculated GFs. It is suggested that the GF is not just a mathematical artefact but a basic physical characteristic of material systems, which can be measured directly by SPM for 2D solids. This should make SPM an even more powerful technique for characterization of 2D materials.

  16. Manipulation of surface plasmon polariton propagation on isotropic and anisotropic two-dimensional materials coupled to boron nitride heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Inampudi, Sandeep; Nazari, Mina; Forouzmand, Ali; Mosallaei, Hossein, E-mail: [Department of Electrical and Computer Engineering, Northeastern University, 360 Huntington Ave., Boston, Massachusetts 02115 (United States)


    We present a comprehensive analysis of surface plasmon polariton dispersion characteristics associated with isotropic and anisotropic two-dimensional atomically thin layered materials (2D sheets) coupled to h-BN heterostructures. A scattering matrix based approach is presented to compute the electromagnetic fields and related dispersion characteristics of stacked layered systems composed of anisotropic 2D sheets and uniaxial bulk materials. We analyze specifically the surface plasmon polariton (SPP) dispersion characteristics in case of isolated and coupled two-dimensional layers with isotropic and anisotropic conductivities. An analysis based on residue theorem is utilized to identify optimum optical parameters (surface conductivity) and geometrical parameters (separation between layers) to maximize the SPP field at a given position. The effect of type and degree of anisotropy on the shapes of iso-frequency curves and propagation characteristics is discussed in detail. The analysis presented in this paper gives an insight to identify optimum setup to enhance the SPP field at a given position and in a given direction on the surface of two-dimensional materials.

  17. Silicene and transition metal based materials: prediction of a two-dimensional piezomagnet

    Energy Technology Data Exchange (ETDEWEB)

    Dzade, Nelson Y; Obodo, Kingsley O; Adjokatse, Sampson K; Ashu, Akosa C; Amankwah, Emmanuel; Atiso, Clement D; Bello, Abdulhakeem A; Igumbor, Emmanuel; Nzabarinda, Stany B; Obodo, Joshua T; Ogbuu, Anthony O; Femi, Olu Emmanuel; Udeigwe, Josephine O; Waghmare, Umesh V [African University of Science and Technology, Abuja (Nigeria)


    We use first-principles density functional theory based calculations to determine the stability and properties of silicene, a graphene-like structure made from silicon, and explore the possibilities of modifying its structure and properties through incorporation of transition metal ions (M: Ti, Nb, Ta, Cr, Mo and W) in its lattice, forming MSi{sub 2}. While pure silicene is stable in a distorted honeycomb lattice structure obtained by opposite out-of-plane displacements of the two Si sub-lattices, its electronic structure still exhibits linear dispersion with the Dirac conical feature similar to graphene. We show that incorporation of transition metal ions in its lattice results in a rich set of properties with a clear dependence on the structural changes, and that CrSi{sub 2} forms a two-dimensional magnet exhibiting a strong piezomagnetic coupling.

  18. Convergent fabrication of a nanoporous two-dimensional carbon network from an aldol condensation on metal surfaces (United States)

    Landers, John; Chérioux, Frédéric; De Santis, Maurizio; Bendiab, Nedjma; Lamare, Simon; Magaud, Laurence; Coraux, Johann


    We report a convergent surface polymerization reaction scheme on Au(111), based on a triple aldol condensation, yielding a carbon-rich, covalent nanoporous two-dimensional network. The reaction is not self-poisoning and proceeds up to a full surface coverage. The deposited precursor molecules 1, 3, 5-tri(4’-acetylphenyl) first form supramolecular assemblies that are converted to the porous covalent network upon heating. The formation and structure of the network and of the intermediate steps are studied with scanning tunneling microscopy, Raman spectroscopy and density functional theory.

  19. Two-dimensional Few-circle Optical Pulses in the Inhomogeneous Environment of Carbon Nanotubes

    Directory of Open Access Journals (Sweden)

    M.B. Belonenko


    Full Text Available We consider the task about few-circle optical pulses dynamics (light bullets in the inhomogeneous environment of carbon nanotubes. Electromagnetic field of pulse describes classically, on basis of Maxwell equation, and carbon nanotubes give dispersion law for electrons, which interacting with pulse. We show that light bullets propagate stably.

  20. Epsilon-near-zero behavior from plasmonic Dirac point: Theory and realization using two-dimensional materials (United States)

    Mattheakis, Marios; Valagiannopoulos, Constantinos A.; Kaxiras, Efthimios


    The electromagnetic response of a two-dimensional metal embedded in a periodic array of a dielectric host can give rise to a plasmonic Dirac point that emulates epsilon-near-zero (ENZ) behavior. This theoretical result is extremely sensitive to structural features like periodicity of the dielectric medium and thickness imperfections. We propose that such a device can actually be realized by using graphene as the two-dimensional metal and materials like the layered semiconducting transition-metal dichalcogenides or hexagonal boron nitride as the dielectric host. We propose a systematic approach, in terms of design characteristics, for constructing metamaterials with linear, elliptical, and hyperbolic dispersion relations which produce ENZ behavior, normal or negative diffraction.

  1. Controlling many-body states by the electric-field effect in a two-dimensional material. (United States)

    Li, L J; O'Farrell, E C T; Loh, K P; Eda, G; Özyilmaz, B; Castro Neto, A H


    To understand the complex physics of a system with strong electron-electron interactions, the ideal is to control and monitor its properties while tuning an external electric field applied to the system (the electric-field effect). Indeed, complete electric-field control of many-body states in strongly correlated electron systems is fundamental to the next generation of condensed matter research and devices. However, the material must be thin enough to avoid shielding of the electric field in the bulk material. Two-dimensional materials do not experience electrical screening, and their charge-carrier density can be controlled by gating. Octahedral titanium diselenide (1T-TiSe2) is a prototypical two-dimensional material that reveals a charge-density wave (CDW) and superconductivity in its phase diagram, presenting several similarities with other layered systems such as copper oxides, iron pnictides, and crystals of rare-earth elements and actinide atoms. By studying 1T-TiSe2 single crystals with thicknesses of 10 nanometres or less, encapsulated in two-dimensional layers of hexagonal boron nitride, we achieve unprecedented control over the CDW transition temperature (tuned from 170 kelvin to 40 kelvin), and over the superconductivity transition temperature (tuned from a quantum critical point at 0 kelvin up to 3 kelvin). Electrically driving TiSe2 over different ordered electronic phases allows us to study the details of the phase transitions between many-body states. Observations of periodic oscillations of magnetoresistance induced by the Little-Parks effect show that the appearance of superconductivity is directly correlated with the spatial texturing of the amplitude and phase of the superconductivity order parameter, corresponding to a two-dimensional matrix of superconductivity. We infer that this superconductivity matrix is supported by a matrix of incommensurate CDW states embedded in the commensurate CDW states. Our results show that spatially

  2. Three-Fold Symmetry Restrictions on Two-Dimensional Micropolar Materials

    DEFF Research Database (Denmark)

    Warren, W. E.; Byskov, Esben

    Analysis of the mechanical properties of engineering materials with micro-structure generally requires modification of the concept of a simple material. One approach is the theory of micropolar materials which introduces an independent rotation of a material element and the resulting stress...

  3. Evaluation of excess carbon 14 and strontium 90 data for suitability to test two-dimensional stratospheric models (United States)

    Johnston, Harold


    From reports by the Atomic Energy Commission concerning the atmospheric distribution of radionucleides following the nuclear bomb tests of 1958-1959 and 1961-1962, excess carbon 14 data from the period 1959-1970 and strontium 90 data from 1963-1967 are reviewed for possible use as inert tracers to test two-dimensional stratospheric-tropospheric models. Contrary to some views expressed in the literature, it is concluded that the carbon 14 data are suitable to test (1) the altitude (at 4 latitudes) of the transition region between troposphere and stratosphere with respect to transport of an inert tracer, (2) some aspects of transport between the northern and southern hemispheres, (3) horizontal and vertical transport as the vertical profile between 4.5 and 33 km and at 31°N evolves from a skewed Gaussian in 1963 to an almost stair-step profile in 1966, and (4) the long-term one-dimensional aspect of a two-dimensional model over the period 1966-1970. More tentatively, it is concluded that the strontium 90 data may be used as a model for the distribution and gross settling rate of the natural stratospheric aerosol layer between 15 and 25 km. Data from difficultly obtained laboratory reports and suggested initial conditions and boundary conditions are included as a microfiche supplement to this paper.

  4. Unique combination of zero-one-two dimensional carbon-titania hybrid for cold cathode application (United States)

    Banerjee, D.; Kumar, D.; Das, N. S.; Sarkar, S.; Chattopadhyay, K. K.


    A unique multi-dimensional hybrid system has been developed by incorporating titania nanoparticle into chemically synthesized amorphous carbon nanotubes (a-CNTs)-amorphous graphene composites. The as-synthesized samples were characterized by x-ray diffraction, scanning and transmission electron microscopy; Raman spectroscopy and photoluminescence spectroscopy. The microscopic studies confirm the attachment of the TiO2 nanoparticles on carbon structures. The performance of the both the pure and hybrid samples as cold cathode emitter has been investigated and it has been found that cold emission performance of the pure carbon system improves considerably after TiO2 nanoparticles being added to it giving a turn on field as low as 2.1 V/μm and enhancement factor 2746. The enhancement of field emission characteristic after TiO2 addition was justified from the 'ANSYS- Maxwell' software based simulation study.

  5. Preparation and applications of novel composites composed of metal-organic frameworks and two-dimensional materials. (United States)

    Li, Shaozhou; Yang, Kai; Tan, Chaoliang; Huang, Xiao; Huang, Wei; Zhang, Hua


    Metal-organic frameworks (MOFs), an emerging type of porous crystalline materials, have received increasing attention in recent years due to their compositional, structural and chemical versatility. Moreover, great progress has been made in the fundamental study and technological development of two-dimensional (2D) materials, such as graphene and metal dichalcogenide nanosheets, which exhibit a number of unique and attractive properties for wide applications. Recently, the smart integration of the aforementioned two types of functional materials, i.e. MOFs and 2D materials, has led to improved performance in molecular absorption, separation and storage, and shown promise in selective catalysis and biosensing. This feature article aims at providing a brief introduction to the composites composed of MOFs and 2D materials, focusing mainly on their preparation methods and applications. Finally, technical challenges and future opportunities in this field will also be discussed.

  6. A two-dimensional model of the passive coastal margin deep sedimentary carbon and methane cycles

    Directory of Open Access Journals (Sweden)

    D. E. Archer


    Full Text Available We present a new geologic-time and basin-spatial scale model of the continental margin methane cycle. The model, SpongeBOB, is used to simulate evolution of the carbon cycle in a passive sedimentary continental margin in response to changing oceanographic and geologic forcing over a time scale of 200 million years. The geochemistry of the sediment column is altered by the addition of vertical high-permeability channels intended to mimic the effects of heterogeneity in the real sediment column due to faults, and produces results consistent with measured pore-water tracers SO42− and 129I. Pore water dissolved inorganic carbon (DIC concentrations are consistent with chemical weathering (CaCO3 formation from igneous rocks at depth within the sediment column. The carbon isotopic composition of the DIC is consistent with a methane production efficiency from particulate organic carbon (POC of 50%, which is somewhat lower than redox balance with the H / C of organic matter in the model. The hydrate inventory in the model is somewhat less sensitive to temperature than our previous results with a one-dimensional model, quite sensitive to reasonable changes in POC, and extremely sensitive to the ability of methane bubbles to rise within the sediment column, and how far gas-phase methane can get through the sediment column before it redissolves when it reaches undersaturated conditions. Hydrate formation is also sensitive to deep respiration of migrating petroleum. Other phenomena which we simulated had only a small impact on the hydrate inventory, including thermogenic methane production and production/decomposition of dissolved organic carbon.

  7. A two-dimensional model of the passive coastal margin deep sedimentary carbon and methane cycles

    Directory of Open Access Journals (Sweden)

    D. E. Archer


    Full Text Available We present a new geologic-time and basin-spatial scale model of the continental margin methane cycle. The model, SpongeBOB, is used to simulate evolution of the carbon cycle in a passive sedimentary continental margin in response to changing oceanographic and geologic forcing over a time scale of 140 million years. The model is somewhat less sensitive to temperature than our previous results with a one-dimensional model, but is more sensitive to reasonable changes in POC than it is to reasonable changes in temperature. This behavior could lead to higher inventories of hydrate during hothouse climate conditions, rather than lower as generally assumed, due to the enrichment of the sediments in organic carbon. The hydrate inventory in the model is extremely sensitive to the ability of methane bubbles to rise within the sediment column, and how far gas-phase methane can get through the sediment column before it redissolves when it reaches undersaturated conditions. Hydrate formation is also sensitive to deep respiration of migrating petroleum in the model. The geochemistry of the sediment column is altered by the addition of vertical high-permeability chimneys intended to mimic the effects of heterogeneity in the real sediment column due to faults and chimneys, and produces results consistent with measured pore-water tracers SO42− and 129I. Pore water DIC concentrations are consistent with chemical weathering at depth within the sediment column. The carbon isotopic composition of the DIC is consistent with a methane production efficiency from POC of 50%, which is somewhat lower than redox balance with the H/C of organic matter in the model. Other phenomena which we simulated had only small impact on the hydrate inventory, including thermogenic methane, dissolved organic carbon, and sediment transport characteristics.

  8. Two-dimensional thermal simulations of aluminum and carbon ion strippers for experiments at SPIRAL2 using the highest beam intensities

    Energy Technology Data Exchange (ETDEWEB)

    Tahir, N.A., E-mail: [GSI Helmholzzentrum fuer Schwerionenforschung, 64291 Darmstadt (Germany); Kim, V. [Institute of Problems of Chemical Physics, Chernogolovka (Russian Federation); Lamour, E. [Institut des NanoSciences de Paris, UPMC-Sorbonne Universite, CNRS-UMR 7588, 75252 Paris (France); Lomonosov, I.V. [Institute of Problems of Chemical Physics, Chernogolovka (Russian Federation); Piriz, A.R. [ETSI Industriales, Universidad de Castilla-La Mancha, 13071 Ciudad Real (Spain); Rozet, J.P. [Institut des NanoSciences de Paris, UPMC-Sorbonne Universite, CNRS-UMR 7588, 75252 Paris (France); Stoehlker, Th. [GSI Helmholzzentrum fuer Schwerionenforschung, 64291 Darmstadt (Germany); Helmholz-Institut Jena, 07743 Jena (Germany); Sultanov, V. [Institute of Problems of Chemical Physics, Chernogolovka (Russian Federation); Vernhet, D. [Institut des NanoSciences de Paris, UPMC-Sorbonne Universite, CNRS-UMR 7588, 75252 Paris (France)


    In this paper we report on two-dimensional numerical simulations of heating of a rotating, wheel shaped target impacted by the full intensity of the ion beam that will be delivered by the SPIRAL2 facility at Caen, France. The purpose of this work is to study heating of solid targets that will be used to strip the fast ions of SPIRAL2 to the required high charge state for the FISIC (Fast Ion-Slow Ion Collision) experiments. Strippers of aluminum with different emissivities and of carbon are exposed to high beam current of different ion species as oxygen, neon and argon. These studies show that carbon, due to its much higher sublimation temperature and much higher emissivity, is more favorable compared to aluminum. For the highest beam intensities, an aluminum stripper does not survive. However, problem of the induced thermal stresses and long term material fatigue needs to be investigated before a final conclusion can be drawn.

  9. A two-dimensional model of the passive coastal margin deep sedimentary carbon and methane cycles



    We present a new geologic-time and basin-spatial scale model of the continental margin methane cycle. The model, SpongeBOB, is used to simulate evolution of the carbon cycle in a passive sedimentary continental margin in response to changing oceanographic and geologic forcing over a time scale of 200 million years. The geochemistry of the sediment column is altered by the addition of vertical high-permeability channels intended to mimic the effects of heterogeneity in the real sediment column...

  10. CSQII: a two-dimensional Eulerian code for computation of material motion in two dimensions

    Energy Technology Data Exchange (ETDEWEB)

    McGlaun, J M; Thompson, S L


    CSQII is a general-purpose code with a wide variety of options: rectangular or cylindrical coordinates, up to ten materials, allowance for void, elestic-plastic or distended material, inclusion of energy sources or gravity. The basic solution scheme integrates the Lagrangian form of the conservation equations through a time step and then explicity rezones back to the Eulerian grid. The following aspects are treated in some detail: equation of state, momentum balance, energy balance, rezoning, and radiation. (RWR)

  11. Dense Carbon Monoxide to 160 GPa: Stepwise Polymerization to Two-Dimensional Layered Solid

    Energy Technology Data Exchange (ETDEWEB)

    Ryu, Young-Jay; Kim, Minseob; Lim, Jinhyuk; Dias, Ranga; Klug, Dennis; Yoo, Choong-Shik


    Carbon monoxide (CO) is the first molecular system found to transform into a nonmolecular “polymeric” solid above 5.5 GPa, yet been studied beyond 10 GPa. Here, we show a series of pressure-induced phase transformations in CO to 160 GPa: from a molecular solid to a highly colored, low-density polymeric phase I to translucent, high-density phase II to transparent, layered phase III. The properties of these phases are consistent with those expected from recently predicted 1D P21/m, 3D I212121, and 2D Cmcm structures, respectively. Thus, the present results advocate a stepwise polymerization of CO triple bonds to ultimately a 2D singly bonded layer structure with an enhanced ionic character.

  12. The importance of terrestrial weathering changes in multimillennial recovery of the global carbon cycle: a two-dimensional perspective (United States)

    Brault, Marc-Olivier; Damon Matthews, H.; Mysak, Lawrence A.


    In this paper, we describe the development and application of a new spatially explicit weathering scheme within the University of Victoria Earth System Climate Model (UVic ESCM). We integrated a dataset of modern-day lithology with a number of previously devised parameterizations for weathering dependency on temperature, primary productivity, and runoff. We tested the model with simulations of future carbon cycle perturbations, comparing a number of emission scenarios and model versions with each other and with zero-dimensional equivalents of each experiment. Overall, we found that our two-dimensional weathering model versions were more efficient in restoring the carbon cycle to its pre-industrial state following the pulse emissions than their zero-dimensional counterparts; however, in either case the effect of this weathering negative feedback on the global carbon cycle was small on timescales of less than 1000 years. According to model results, the largest contribution to future changes in weathering rates came from the expansion of tropical and mid-latitude vegetation in grid cells dominated by weathering-vulnerable rock types, whereas changes in temperature and river runoff had a more modest direct effect. Our results also confirmed that silicate weathering is the only mechanism that can lead to a full recovery of the carbon cycle to pre-industrial levels on multimillennial timescales.

  13. Scalable exfoliation and dispersion of two-dimensional materials - an update. (United States)

    Tao, Hengcong; Zhang, Yuqin; Gao, Yunnan; Sun, Zhenyu; Yan, Chao; Texter, John


    The preparation of dispersions of single- and few-sheet 2D materials in various solvents, as well as the characterization methods applied to such dispersions, is critically reviewed. Motivating factors for producing single- and few-sheet dispersions of 2D materials in liquids are briefly discussed. Many practical applications are expected for such materials that do not require high purity formulations and tight control of donor and acceptor concentrations, as required in conventional Fab processing of semiconductor chips. Approaches and challenges encountered in exfoliating 2D materials in liquids are reviewed. Ultrasonication, mechanical shearing, and electrochemical processing approaches are discussed, and their respective limitations and promising features are critiqued. Supercritical and more conventional liquid and solvent processing are then discussed in detail. The effects of various types of stabilizers, including surfactants and other amphiphiles, as well as polymers, including homopolymeric electrolytes, nonionic polymers, and nanolatexes, are discussed. Consideration of apparent successes of stabilizer-free dispersions indicates that extensive exfoliation in the absence of dispersing aids results from processing-induced surface modifications that promote stabilization of 2D material/solvent interactions. Also apparent paradoxes in "pristineness" and optical extinctions in dispersions suggest that there is much we do not yet quantitatively understand about the surface chemistry of these materials. Another paradox, emanating from modeling dilute solvent-only exfoliation by sonication using polar components of solubility parameters and surface tension for pristine graphene with no polar structural component, is addressed. This apparent paradox appears to be resolved by realizing that the reactivity of graphene to addition reactions of solvent radicals produced by sonolysis is accompanied by unintended polar surface modifications that promote attractive

  14. Mobility and bulk electron-phonon interaction in two-dimensional materials

    DEFF Research Database (Denmark)

    Gunst, Tue; Brandbyge, Mads; Markussen, Troels


    We present calculations of the phonon-limited mobility in intrinsic n-type monolayer graphene, silicene and MoS2. The material properties, including the electron-phonon interaction, are calculated from first principles. Unlike graphene, the carriers in silicene show strong interaction with the out...

  15. Two-dimensional isotropic damage elastoplastic model for quasi-brittle material


    Beneš, P. (Pavel); Vavřík, D. (Daniel)


    Micro-mechanical model for isotropic damage of quasi-brittle material including frictionis presented. Damage is assumed to be isotropic and scalar damage variable is employed . Operatorsplitting method is applied. The article contains derived expressions for derivations necessary forcomputation of coefficients in two dimensions for strain and damage normality rules.

  16. A two-dimensional linear elasticity problem for anisotropic materials, solved with a parallelization code

    Directory of Open Access Journals (Sweden)

    Mihai-Victor PRICOP


    Full Text Available The present paper introduces a numerical approach of static linear elasticity equations for anisotropic materials. The domain and boundary conditions are simple, to enhance an easy implementation of the finite difference scheme. SOR and gradient are used to solve the resulting linear system. The simplicity of the geometry is also useful for MPI parallelization of the code.

  17. On micromechanical characteristics of the critical state of two-dimensional granular materials

    NARCIS (Netherlands)

    Kruyt, N.P.; Rothenburg, L.


    In micromechanics of quasi-static deformation of granular materials, relationships are investigated between the macro-scale, continuum-mechanical characteristics, and the micro-scale characteristics at the particle and interparticle contact level. An important micromechanical quantity is the fabric

  18. Understanding anisotropic plasma etching of two-dimensional polystyrene opals for advanced materials fabrication. (United States)

    Akinoglu, Eser M; Morfa, Anthony J; Giersig, Michael


    Anisotropic deformation of polystyrene particles in an oxygenated (O2/Ar) plasma is observed for radio frequency (rf) plasma and inductively coupled plasma (ICP). A facile model based on a ratio of completely isotropic and completely anisotropic etching is presented to describe the anisotropy of the etching process and is implemented to determine the height of the spheroid-shaped polystyrene particles. In our systems, we find the plasma etching to be 54% isotropic in the rf plasma and 79% isotropic in the ICP. With this model, the maximum material deposition thickness for nanofabrication with plasma-etched nanosphere lithography or colloid lithography can be predicted. Moreover, the etching of polystyrene particles in an oxygenated plasma is investigated versus the etching time, gas flow, gas composition, temperature, substrate material, and particle size. The results of this study allow precise shape tuning during the fabrication of nanostructured surfaces with size-dependent properties for bionic, medical, and photonic applications.

  19. Magnetic-field-free thermoelectronic power conversion based on graphene and related two-dimensional materials (United States)

    Wanke, R.; Hassink, G. W. J.; Stephanos, C.; Rastegar, I.; Braun, W.; Mannhart, J.


    Mobile energy converters require, in addition to high conversion efficiency and low cost, a low mass. We propose to utilize thermoelectronic converters that use 2D-materials such as graphene for their gate electrodes. Deriving the ultimate limit for their specific energy output, we show that the positive energy output is likely close to the fundamental limit for any conversion of heat into electric power. These converters may be valuable as electric power sources of spacecraft, and with the addition of vacuum enclosures, for power generation in electric planes and cars.

  20. Real-Time Time-Frequency Two-Dimensional Imaging of Ultrafast Transient Signals in Solid-State Organic Materials

    Directory of Open Access Journals (Sweden)

    Jun Takeda


    Full Text Available In this review, we demonstrate a real-time time-frequency two-dimensional (2D pump-probe imaging spectroscopy implemented on a single shot basis applicable to excited-state dynamics in solid-state organic and biological materials. Using this technique, we could successfully map ultrafast time-frequency 2D transient absorption signals of β-carotene in solid films with wide temporal and spectral ranges having very short accumulation time of 20 ms per unit frame. The results obtained indicate the high potential of this technique as a powerful and unique spectroscopic tool to observe ultrafast excited-state dynamics of organic and biological materials in solid-state, which undergo rapid photodegradation.

  1. Two-dimensional magnetic modeling of ferromagnetic materials by using a neural networks based hybrid approach

    Energy Technology Data Exchange (ETDEWEB)

    Cardelli, E.; Faba, A. [Department of Engineering, University of Perugia, Via G. Duranti 93, 06125 Perugia (Italy); Laudani, A.; Lozito, G.M.; Riganti Fulginei, F.; Salvini, A. [Department of Engineering, Roma Tre University, Via V. Volterra 62, 00146 Rome (Italy)


    This paper presents a hybrid neural network approach to model magnetic hysteresis at macro-magnetic scale. That approach aims to be coupled together with numerical treatments of magnetic hysteresis such as FEM numerical solvers of the Maxwell's equations in time domain, as in case of the non-linear dynamic analysis of electrical machines, and other similar devices, allowing a complete computer simulation with acceptable run times. The proposed Hybrid Neural System consists of four inputs representing the magnetic induction and magnetic field components at each time step and it is trained by 2D and scalar measurements performed on the magnetic material to be modeled. The magnetic induction B is assumed as entry point and the output of the Hybrid Neural System returns the predicted value of the field H at the same time step. Within the Hybrid Neural System, a suitably trained neural network is used for predicting the hysteretic behavior of the material to be modeled. Validations with experimental tests and simulations for symmetric, non-symmetric and minor loops are presented.

  2. Two-dimensional polyaniline (C3N) from carbonized organic single crystals in solid state. (United States)

    Mahmood, Javeed; Lee, Eun Kwang; Jung, Minbok; Shin, Dongbin; Choi, Hyun-Jung; Seo, Jeong-Min; Jung, Sun-Min; Kim, Dongwook; Li, Feng; Lah, Myoung Soo; Park, Noejung; Shin, Hyung-Joon; Oh, Joon Hak; Baek, Jong-Beom


    The formation of 2D polyaniline (PANI) has attracted considerable interest due to its expected electronic and optoelectronic properties. Although PANI was discovered over 150 y ago, obtaining an atomically well-defined 2D PANI framework has been a longstanding challenge. Here, we describe the synthesis of 2D PANI via the direct pyrolysis of hexaaminobenzene trihydrochloride single crystals in solid state. The 2D PANI consists of three phenyl rings sharing six nitrogen atoms, and its structural unit has the empirical formula of C3N. The topological and electronic structures of the 2D PANI were revealed by scanning tunneling microscopy and scanning tunneling spectroscopy combined with a first-principle density functional theory calculation. The electronic properties of pristine 2D PANI films (undoped) showed ambipolar behaviors with a Dirac point of -37 V and an average conductivity of 0.72 S/cm. After doping with hydrochloric acid, the conductivity jumped to 1.41 × 10(3) S/cm, which is the highest value for doped PANI reported to date. Although the structure of 2D PANI is analogous to graphene, it contains uniformly distributed nitrogen atoms for multifunctionality; hence, we anticipate that 2D PANI has strong potential, from wet chemistry to device applications, beyond linear PANI and other 2D materials.

  3. Computational two-dimensional modeling of the stress intensity factor in a cracked metallic material (United States)

    Rolón, J. E.; Cendales, E. D.; Cruz, I. M.


    Cracking of metallic engineering materials is of great importance due cost of replacing mechanical elements cracked and the danger of sudden structural failure of these elements. One of the most important parameters during consideration of the mechanical behavior of machine elements having cracking and that are subject to various stress conditions is the stress intensity factor near the crack tip called factor Kic. In this paper a computational model is developed for the direct assessment of stress concentration factor near to the crack tip and compared with the results obtained in the literature in which other models have been established, which consider continuity of the displacement of the crack tip (XBEM). Based on this numerical approximation can be establish that computational XBEM method has greater accuracy in Kic values obtained than the model implemented by the method of finite elements for the virtual nodal displacement through plateau function.

  4. Measurement of repulsive force of high Tc materials due to Meissner effect and its two dimensional distribution (United States)

    Ishigaki, H.; Itoh, M.; Hida, A.; Endo, H.; Oya, T.


    As a basic study for magnetic bearings using high-Tc superconductors, evaluations of the materials were conducted. These evaluations included measurements of the repulsive force and lateral restoring force of various kinds of YBCO pellets. Pure air, which was supplied in the process of fabrication, and the presence of Ag in YBCO showed evidence of the effects of increasing the repulsive force. The lateral restoring force which was observed in the lateral displacement of a levitated permanent magnet over YBCO pellets was also affected by pure air and the presence of Ag. A new measuring instrument for magnetic fields was developed by using a highly sensitive force sensor. Because this instrument has the capability of measuring the repulsive force due to the Meissner effect, it was used for evaluating the two-dimensional distribution of superconducting properties. Results show that the pellets had nonuniform superconducting properties. The two-dimensional distribution of residual flux density on the pellets which had been cooled in a magnetic field (field cooling) was also observed by means of the instrument. The mechanism for generating lateral force is discussed in relation to the distribution.

  5. Chemical free device fabrication of two dimensional van der Waals materials based transistors by using one-off stamping

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Young Tack, E-mail:, E-mail: [Center of Opto-Electronic Materials and Devices, Post-Silicon Semiconductor Institute Korea Institute of Science and Technology (KIST), Seoul 02792 (Korea, Republic of); Choi, Won Kook [Department of Nanomaterials and Nano Science, Korea University of Science and Technology (KUST), Daejeon 34113 (Korea, Republic of); Materials and Life Science Research Division, Korea Institute of Science and Technology (KIST), Seoul 02792 (Korea, Republic of); Hwang, Do Kyung, E-mail: [Center of Opto-Electronic Materials and Devices, Post-Silicon Semiconductor Institute Korea Institute of Science and Technology (KIST), Seoul 02792 (Korea, Republic of); Department of Nanomaterials and Nano Science, Korea University of Science and Technology (KUST), Daejeon 34113 (Korea, Republic of)


    We report on a chemical free one-off imprinting method to fabricate two dimensional (2D) van der Waals (vdWs) materials based transistors. Such one-off imprinting technique is the simplest and effective way to prevent unintentional chemical reaction or damage of 2D vdWs active channel during device fabrication process. 2D MoS{sub 2} nanosheets based transistors with a hexagonal-boron-nitride (h-BN) passivation layer, prepared by one-off imprinting, show negligible variations of transfer characteristics after chemical vapor deposition process. In addition, this method enables the fabrication of all 2D MoS{sub 2} transistors consisting of h-BN gate insulator, and graphene source/drain and gate electrodes without any chemical damage.

  6. Q-switched waveguide laser based on two-dimensional semiconducting materials: tungsten disulfide and black phosphorous. (United States)

    Tan, Yang; Guo, Zhinan; Ma, Linan; Zhang, Han; Akhmadaliev, Shavkat; Zhou, Shengqiang; Chen, Feng


    Owing to their unique properties, graphene-like two dimensional semiconducting materials, including Tungsten Disulfide (WS2) and Black Phosphorous (BP), have attracted increasing interest from basic research to practical applications. Herein, we demonstrated the ultrafast nonlinear saturable absorption response of WS2 and BP films in the waveguide structure. Through fabricating WS2 and BP films by evaporating the solutions on glass wafers. Saturable absorber films were attached onto the end-facet of the waveguide, which therefore constitutes a resonant cavity for the waveguide laser. Under a pump laser at 810 nm, we could obtain a stable Q-switched operation in the waveguide structure. This work indicated the significant potential of WS2 and BP for the ultrafast waveguide laser.

  7. Epsilon-Near-Zero behavior from plasmonic Dirac point: theory and realization using two-dimensional materials

    CERN Document Server

    Mattheakis, Marios; Kaxiras, Efthimios


    The electromagnetic response of a two-dimensional metal embedded in a periodic array of a dielectric host can give rise to a plasmonic Dirac point that emulates Epsilon-Near-Zero (ENZ) behavior. This theoretical result is extremely sensitive to tructural features like periodicity of the dielectric medium and thickness imperfections. We propose that such a device can actually be realized by using graphene as the 2D metal and materials like the layered semiconducting transition-metal dichalcogenides or hexagonal boron nitride as the dielectric host. We propose a systematic approach, in terms of design characteristics, for constructing metamaterials with linear, elliptical and hyperbolic dispersion relations which produce ENZ behavior, normal or negative diffraction.

  8. Real-space and plane-wave hybrid method for electronic structure calculations for two-dimensional materials (United States)

    Do, V. Nam; Le, H. Anh; Vu, V. Thieu


    We propose a computational approach to combining the plane-wave method and the real-space treatment to describe the periodic variation in the material plane and the decay of wave functions from the material surfaces. The proposed approach is natural for two-dimensional material systems and thus may circumvent some intrinsic limitations involving the artificial replication of material layers in traditional supercell methods. In particular, we show that the proposed method is easy to implement and, especially, computationally effective since low-cost computational algorithms, such as iterative and recursive techniques, can be used to treat matrices with block tridiagonal structure. Using this approach we show first-principles features that supplement the current knowledge of some fundamental issues in bilayer graphene systems, including the coupling between the two graphene layers, the preservation of the σ band of monolayer graphene in the electronic structure of the bilayer system, and the differences in low-energy band structure between the AA- and AB-stacked configurations.

  9. Efficient split field FDTD analysis of third-order nonlinear materials in two-dimensionally periodic media (United States)

    Francés, Jorge; Bleda, Sergio; Bej, Subhajit; Tervo, Jani; Navarro-Fuster, Víctor; Fenoll, Sandra; Martínez-Gaurdiola, Francisco J.; Neipp, Cristian


    In this work the split-field finite-difference time-domain method (SF-FDTD) has been extended for the analysis of two-dimensionally periodic structures with third-order nonlinear media. The accuracy of the method is verified by comparisons with the nonlinear Fourier Modal Method (FMM). Once the formalism has been validated, examples of one- and two-dimensional nonlinear gratings are analysed. Regarding the 2D case, the shifting in resonant waveguides is corroborated. Here, not only the scalar Kerr effect is considered, the tensorial nature of the third-order nonlinear susceptibility is also included. The consideration of nonlinear materials in this kind of devices permits to design tunable devices such as variable band filters. However, the third-order nonlinear susceptibility is usually small and high intensities are needed in order to trigger the nonlinear effect. Here, a one-dimensional CBG is analysed in both linear and nonlinear regime and the shifting of the resonance peaks in both TE and TM are achieved numerically. The application of a numerical method based on the finite- difference time-domain method permits to analyse this issue from the time domain, thus bistability curves are also computed by means of the numerical method. These curves show how the nonlinear effect modifies the properties of the structure as a function of variable input pump field. When taking the nonlinear behaviour into account, the estimation of the electric field components becomes more challenging. In this paper, we present a set of acceleration strategies based on parallel software and hardware solutions.

  10. High-Throughput Computational Design of Advanced Functional Materials: Topological Insulators and Two-Dimensional Electron Gas Systems (United States)

    Yang, Kesong

    As a rapidly growing area of materials science, high-throughput (HT) computational materials design is playing a crucial role in accelerating the discovery and development of novel functional materials. In this presentation, I will first introduce the strategy of HT computational materials design, and take the HT discovery of topological insulators (TIs) as a practical example to show the usage of such an approach. Topological insulators are one of the most studied classes of novel materials because of their great potential for applications ranging from spintronics to quantum computers. Here I will show that, by defining a reliable and accessible descriptor, which represents the topological robustness or feasibility of the candidate, and by searching the quantum materials repository, we have automatically discovered 28 TIs (some of them already known) in five different symmetry families. Next, I will talk about our recent research work on the HT computational design of the perovskite-based two-dimensional electron gas (2DEG) systems. The 2DEG formed on the perovskite oxide heterostructure (HS) has potential applications in next-generation nanoelectronic devices. In order to achieve practical implementation of the 2DEG in the device design, desired physical properties such as high charge carrier density and mobility are necessary. Here I show that, using the same strategy with the HT discovery of TIs, by introducing a series of combinatorial descriptors, we have successfully identified a series of candidate 2DEG systems based on the perovskite oxides. This work provides another exemplar of applying HT computational design approach for the discovery of advanced functional materials.

  11. Rational Design of Two-Dimensional Metallic and Semiconducting Spintronic Materials Based on Ordered Double-Transition-Metal MXenes

    KAUST Repository

    Dong, Liang


    Two-dimensional (2D) materials that display robust ferromagnetism have been pursued intensively for nanoscale spintronic applications, but suitable candidates have not been identified. Here we present theoretical predictions on the design of ordered double-transition-metal MXene structures to achieve such a goal. On the basis of the analysis of electron filling in transition-metal cations and first-principles simulations, we demonstrate robust ferromagnetism in Ti2MnC2Tx monolayers regardless of the surface terminations (T = O, OH, and F), as well as in Hf2MnC2O2 and Hf2VC2O2 monolayers. The high magnetic moments (3–4 μB/unit cell) and high Curie temperatures (495–1133 K) of these MXenes are superior to those of existing 2D ferromagnetic materials. Furthermore, semimetal-to-semiconductor and ferromagnetic-to-antiferromagnetic phase transitions are predicted to occur in these materials in the presence of small or moderate tensile in-plane strains (0–3%), which can be externally applied mechanically or internally induced by the choice of transition metals.

  12. One-step thermolysis synthesis of two-dimensional ultrafine Fe3O4 particles/carbon nanonetworks for high-performance lithium-ion batteries (United States)

    Zhang, Wanqun; Li, Xiaona; Liang, Jianwen; Tang, Kaibin; Zhu, Yongchun; Qian, Yitai


    To tackle the issue of inferior cycle stability and rate capability for Fe3O4 anode materials in lithium ion batteries, ultrafine Fe3O4 nanocrystals uniformly encapsulated in two-dimensional (2D) carbon nanonetworks have been fabricated through thermolysis of a simple, low-cost iron(iii) acetylacetonate without any extra processes. Moreover, compared to the reported Fe3O4/carbon composites, the particle size of Fe3O4 is controllable and held down to ~3 nm. Benefitting from the synergistic effects of the excellent electroconductive carbon nanonetworks and uniform distribution of ultrafine Fe3O4 particles, the prepared 2D Fe3O4/carbon nanonetwork anode exhibits high reversible capacity, excellent rate capability and superior cyclability. A high capacity of 1534 mA h g-1 is achieved at a 1 C rate and is maintained without decay up to 500 cycles (1 C = 1 A g-1). Even at the high current density of 5 C and 10 C, the 2D Fe3O4/carbon nanonetworks maintain a reversible capacity of 845 and 647 mA h g-1 after 500 discharge/charge cycles, respectively. In comparison with other reported Fe3O4-based anodes, the 2D Fe3O4/carbon nanonetwork electrode is one of the most attractive of those in energy storage applications.To tackle the issue of inferior cycle stability and rate capability for Fe3O4 anode materials in lithium ion batteries, ultrafine Fe3O4 nanocrystals uniformly encapsulated in two-dimensional (2D) carbon nanonetworks have been fabricated through thermolysis of a simple, low-cost iron(iii) acetylacetonate without any extra processes. Moreover, compared to the reported Fe3O4/carbon composites, the particle size of Fe3O4 is controllable and held down to ~3 nm. Benefitting from the synergistic effects of the excellent electroconductive carbon nanonetworks and uniform distribution of ultrafine Fe3O4 particles, the prepared 2D Fe3O4/carbon nanonetwork anode exhibits high reversible capacity, excellent rate capability and superior cyclability. A high capacity of 1534 mA h

  13. Synthesis of Two-Dimensional CoS1.097/Nitrogen-Doped Carbon Nanocomposites Using Metal-Organic Framework Nanosheets as Precursors for Supercapacitor Application. (United States)

    Cao, Feifei; Zhao, Meiting; Yu, Yifu; Chen, Bo; Huang, Ying; Yang, Jian; Cao, Xiehong; Lu, Qipeng; Zhang, Xiao; Zhang, Zhicheng; Tan, Chaoliang; Zhang, Hua


    Two-dimensional (2D) metal-organic framework (MOF) nanosheets are attracting increasing research interest. Here, for the first time, we report the facile synthesis of 2D porphyrin paddlewheel framework-3 (PPF-3) MOF nanosheets with thickness of ca. 12-43 nm. Through the simultaneous sulfidation and carbonization of PPF-3 MOF nanosheets, we have prepared the 2D nanocomposite of CoS1.097 nanoparticles (NPs) and nitrogen-doped carbon, referred to as CoSNC, in which the CoS1.097 NPs with size of ca. 10 nm are embedded in the nitrogen-doped carbon matrix. As a proof-of-concept application, the obtained 2D CoSNC nanocomposite is used as an electrode material for a supercapacitor, which exhibits a specific capacitance of 360.1 F g(-1) at a current density of 1.5 A g(-1). Moreover, the composite electrode also shows high rate capability. Its specific capacitance delivered at a current density of 30.0 A g(-1) retains 56.8% of the value at 1.5 A g(-1).

  14. Andreev reflection in two-dimensional relativistic materials with realistic tunneling transparency in normal-metal/superconductor junctions (United States)

    Chang, Yung-Yeh; Mou, Chung-Yu; Chung, Chung-Hou


    The Andreev conductance across realistic two-dimensional (2D) normal-metal (N)/superconductor (SC) junctions with a relativistic Dirac spectrum is theoretically investigated within the Blonder-Tinkham-Klapwijk formalism with tunable tunneling transparency. It is known that due to the effect of Klein tunneling, impurity potentials at the interface of 2D relativistic materials will enhance (not suppress) the tunneling and therefore are not suitable to model a realistic tunnel junction of these materials. Here, we propose a way to construct a more realistic tunnel junction by adding a narrow, homogeneous local strain, which effectively generates a δ -gauge potential and variations of electron hopping at the interface, to adjust the transparency of the N/SC junction. Remarkable suppression of the Andreev conductance is indeed observed in the graphene N/SC junction as the strength of the local strain increases. We also explore the Andreev conductance in a topological N/SC junction at the two inequivalent Dirac points and predict the distinctive behaviors for the conductance across the chiral-to-helical topological phase transition. The relevance of our results for the adatom-doped graphene is discussed.

  15. Ion intercalation into two-dimensional transition-metal carbides: global screening for new high-capacity battery materials. (United States)

    Eames, Christopher; Islam, M Saiful


    Two-dimensional transition metal carbides (termed MXenes) are a new family of compounds generating considerable interest due to their unique properties and potential applications. Intercalation of ions into MXenes has recently been demonstrated with good electrochemical performance, making them viable electrode materials for rechargeable batteries. Here we have performed global screening of the capacity and voltage for a variety of intercalation ions (Li(+), Na(+), K(+), and Mg(2+)) into a large number of M2C-based compounds (M = Sc, Ti, V, Cr, Zr, Nb, Mo, Hf, Ta) with F-, H-, O-, and OH-functionalized surfaces using density functional theory methods. In terms of gravimetric capacity a greater amount of Li(+) or Mg(2+) can be intercalated into an MXene than Na(+) or K(+), which is related to the size of the intercalating ion. Variation of the surface functional group and transition metal species can significantly affect the voltage and capacity of an MXene, with oxygen termination leading to the highest capacity. The most promising group of M2C materials in terms of anode voltage and gravimetric capacity (>400 mAh/g) are compounds containing light transition metals (e.g., Sc, Ti, V, and Cr) with nonfunctionalized or O-terminated surfaces. The results presented here provide valuable insights into exploring a rich variety of high-capacity MXenes for potential battery applications.

  16. Hidden symmetry and enhanced Rudermann-Kittel-Kasuya-Yosida interaction in P-N junctions of two-dimensional materials (United States)

    Yang, Wen; Zhang, Shuhui; Zhu, Jiaji; Chang, Kai

    Correlation between magnetic atoms (spins) in non-magnetic two-dimensional (2D) systems and materials is one of the central issues in condensed matter physics. Engineering this correlation relies heavily on the carrier-mediated Rudermann-Kittel- Kasuya-Yosida (RKKY) interaction. However, tailoring and direct detection of spin-spin correlation has been limited to spins separated by a few nanometers due to the rapid 1 /R2 decay of RKKY interaction with inter-spin distance R. Here we reveal a hidden symmetry - absent from the Hamiltonian - in planar P-N junctions, which could qualitatively change the spatial scaling of various response functions in a wide range of 2D systems and materials. In particular, it allows RKKY interaction to attain 1 / R decay, the slowest decay in extended systems. This dramatically enhances RKKY interaction and enables long-range correlation between distant spins, with applications in nanoscale magnetism, spintronics, and solid-state quantum computation. This work was supported by the MOST (Grant No. 2015CB921503, and No. 2014CB848700) and NSFC (Grant No. 11434010, No. 11274036, No. 11322542, and No. 11404043).

  17. Light propagation in two-dimensional photonic crystals based on uniaxial polar materials: results on polaritonic spectrum (United States)

    Gómez-Urrea, H. A.; Duque, C. A.; Pérez-Quintana, I. V.; Mora-Ramos, M. E.


    The dispersion relations of two-dimensional photonic crystals made of uniaxial polaritonic cylinders arranged in triangular lattice are calculated. The particular case of the transverse magnetic polarization is taken into account. Three different uniaxial materials showing transverse phonon-polariton excitations are considered: aluminum nitride, gallium nitride, and indium nitride. The study is carried out by means of the finite-difference time-domain technique for the solution of Maxwell equations, together with the method of the auxiliary differential equation. It is shown that changing the filling fraction can result in the modification of both the photonic and polaritonic bandgaps in the optical dispersion relations. Wider gaps appear for smaller filling fraction values, whereas a larger number of photonic bandgaps will occur within the frequency range considered when a larger filling fraction is used. The effect of including the distinct wurtzite III-V nitride semiconductors as core materials in the cylinders embedded in the air on the photonic properties is discussed as well, highlighting the effect of the dielectric anisotropy on the properties of the polaritonic part of the photonic spectrum.

  18. Raman enhancement effect on two-dimensional layered materials: graphene, h-BN and MoS2. (United States)

    Ling, Xi; Fang, Wenjing; Lee, Yi-Hsien; Araujo, Paulo T; Zhang, Xu; Rodriguez-Nieva, Joaquin F; Lin, Yuxuan; Zhang, Jin; Kong, Jing; Dresselhaus, Mildred S


    Realizing Raman enhancement on a flat surface has become increasingly attractive after the discovery of graphene-enhanced Raman scattering (GERS). Two-dimensional (2D) layered materials, exhibiting a flat surface without dangling bonds, were thought to be strong candidates for both fundamental studies of this Raman enhancement effect and its extension to meet practical applications requirements. Here, we study the Raman enhancement effect on graphene, hexagonal boron nitride (h-BN), and molybdenum disulfide (MoS2), by using the copper phthalocyanine (CuPc) molecule as a probe. This molecule can sit on these layered materials in a face-on configuration. However, it is found that the Raman enhancement effect, which is observable on graphene, hBN, and MoS2, has different enhancement factors for the different vibrational modes of CuPc, depending strongly on the surfaces. Higher-frequency phonon modes of CuPc (such as those at 1342, 1452, 1531 cm(-1)) are enhanced more strongly on graphene than that on h-BN, while the lower frequency phonon modes of CuPc (such as those at 682, 749, 1142, 1185 cm(-1)) are enhanced more strongly on h-BN than that on graphene. MoS2 demonstrated the weakest Raman enhancement effect as a substrate among these three 2D materials. These differences are attributed to the different enhancement mechanisms related to the different electronic properties and chemical bonds exhibited by the three substrates: (1) graphene is zero-gap semiconductor and has a nonpolar C-C bond, which induces charge transfer (2) h-BN is insulating and has a strong B-N bond, while (3) MoS2 is semiconducting with the sulfur atoms on the surface and has a polar covalent bond (Mo-S) with the polarity in the vertical direction to the surface. Therefore, the different Raman enhancement mechanisms differ for each material: (1) charge transfer may occur for graphene; (2) strong dipole-dipole coupling may occur for h-BN, and (3) both charge transfer and dipole-dipole coupling may

  19. Two-dimensional calculus

    CERN Document Server

    Osserman, Robert


    The basic component of several-variable calculus, two-dimensional calculus is vital to mastery of the broader field. This extensive treatment of the subject offers the advantage of a thorough integration of linear algebra and materials, which aids readers in the development of geometric intuition. An introductory chapter presents background information on vectors in the plane, plane curves, and functions of two variables. Subsequent chapters address differentiation, transformations, and integration. Each chapter concludes with problem sets, and answers to selected exercises appear at the end o

  20. Two-dimensional correlation infrared spectroscopy applied to analyzing and identifying the extracts of Baeckea frutescens medicinal materials. (United States)

    Adib, Adiana Mohamed; Jamaludin, Fadzureena; Kiong, Ling Sui; Hashim, Nuziah; Abdullah, Zunoliza


    Baeckea frutescens or locally known as Cucur atap is used as antibacterial, antidysentery, antipyretic and diuretic agent. In Malaysia and Indonesia, they are used as an ingredient of the traditional medicine given to mothers during confinement. A three-steps infra-red (IR) macro-fingerprinting method combining conventional IR spectra, and the secondary derivative spectra with two dimensional infrared correlation spectroscopy (2D-IR) have been proved to be effective methods to examine a complicated mixture such as herbal medicines. This study investigated the feasibility of employing multi-steps IR spectroscopy in order to study the main constituents of B. frutescens and its different extracts (extracted by chloroform, ethyl acetate, methanol and aqueous in turn). The findings indicated that FT-IR and 2D-IR can provide many holistic variation rules of chemical constituents. The structural information of the samples indicated that B. frutescens and its extracts contain a large amount of flavonoids, since some characteristic absorption peaks of flavonoids, such as ∼1600cm(-1), ∼1500cm(-1), ∼1450cm(-1), and ∼1270cm(-1) can be observed. The macroscopical fingerprint characters of FT-IR and 2D-IR spectra can not only provide the information of main chemical constituents in medicinal materials and their different extracts, but also compare the components differences among the similar samples. In conclusion, the multi-steps IR macro-fingerprint method is rapid, effective, visual and accurate for pharmaceutical research. Copyright © 2014 Elsevier B.V. All rights reserved.

  1. Mesoscopic current transport in two-dimensional materials with grain boundaries: Four-point probe resistance and Hall effect

    DEFF Research Database (Denmark)

    Lotz, Mikkel Rønne; Boll, Mads; Østerberg, Frederik Westergaard


    We have studied the behavior of micro four-point probe (M4PP) measurements on two-dimensional (2D) sheets composed of grains of varying size and grain boundary resistivity by Monte Carlo based finite element (FE) modelling. The 2D sheet of the FE model was constructed using Voronoi tessellation......-configurations depends on the dimensionality of the current transport (i.e., one- or two-dimensional). At low grain density or low grain boundary resistivity, two-dimensional transport is observed. In contrast, at moderate grain density and high grain resistivity, one-dimensional transport is seen. Ultimately......, this affects how measurements on defective systems should be interpreted in order to extract relevant sample parameters. The Hall effect response in all M4PP configurations was only significant for moderate grain densities and fairly large grain boundary resistivity....

  2. MXenes: A New Family of Two-Dimensional Materials and its Application as Electrodes for Li-ion Batteries (United States)

    Abdelmalak, Michael Naguib

    Two-dimensional, 2D, materials, such as graphene, possess a unique morphology compared to their 3D counterparts, from which interesting and novel properties arise. Currently, the number of non-oxide materials that have been exfoliated is limited to two fairly small groups, viz. hexagonal, van der Waals bonded structures (e.g. graphene and BN) and layered transition metal chalcogenides. The MAX phases are a well established family of layered ternary transition metal carbides and/or nitrides, with a composition of Mn +1AXn, where M is an early transition metal, A is one of A group elements, X is C and/or N; with n = 1, 2, or 3. The aim of this work is to exfoliate the MAX phases and produce 2D layers of transition metals carbides and/or nitrides by the selective etching of the A layers from the MAX phases. We labeled the resulting 2D M n+1Xn layers "MXenes" to emphasize the loss of the A group element from the MAX phases and the suffix "ene" to emphasize their 2D nature and their similarity to graphene. The etching process was carried out using aqueous hydrofluoric acid at room temperature. Thirteen different MXenes were produced as a result of this work, viz., Ti2C, Nb2C, V2C, Mo2C, (Ti0.5,Nb0.5)2C, (Ti 0.5,V0.5)2C, Ti3C2, (Ti 0.5,V0.5)3C2, (V0.5,Cr 0.5)3C2, Ti3CN, Ta4C 3, Nb4C3 and (Nb0.5,V0.5) 4C3. The as-synthesized MXenes were terminated with a mixture of OH, O, and/or F groups. Sonicating MXenes resulted in separating the stacked layers to a small extent. When Ti3C2 was intercalated with dimethylsulfoxide, however, followed by sonication in water, large-scale delamination occurred, which resulted in aqueous colloidal solutions that could in turn be fabricated into MXene "paper". MXenes were found to be electrically conductive, hydrophilic and stable in aqueous environments, a rare combination indeed, with huge potential in many applications, from energy storage, to sensors to catalysts. This work focused on the use of MXenes as electrode materials in Li

  3. Mesoscopic current transport in two-dimensional materials with grain boundaries: Four-point probe resistance and Hall effect

    DEFF Research Database (Denmark)

    Lotz, Mikkel Rønne; Boll, Mads; Østerberg, Frederik Westergaard;


    configuration sheet resistance as well as the resistance measured between opposing edges of the square sample have a simple unique dependency on the dimension-less parameter √nρGBG0, where G0 is the sheet conductance of a grain. The value of the ratio RA/RB between resistances measured in A- and B......-configurations depends on the dimensionality of the current transport (i.e., one- or two-dimensional). At low grain density or low grain boundary resistivity, two-dimensional transport is observed. In contrast, at moderate grain density and high grain resistivity, one-dimensional transport is seen. Ultimately...

  4. Congener-specific carbon isotopic analysis of technical PCB and PCN mixtures using two-dimensional gas chromatography-isotope ratio mass spectrometry. (United States)

    Horii, Yuichi; Kannan, Kurunthachalam; Petrick, Gert; Gamo, Toshitaka; Falandysz, Jerzy; Yamashita, Nobuyoshi


    Analysis of stable carbon isotope fractionation is a useful method to study the sources and fate of anthropogenic organic contaminants such as polychlorinated biphenyls (PCBs) in the environment. To evaluate the utility of carbon isotopes, determination of isotopic ratios of 13C/12C in source materials, for example, technical PCB preparations, is needed. In this study, we determined delta13C values of 31 chlorobiphenyl (CB) congeners in 18 technical PCB preparations and 15 chloronaphthalene (CN) congeners in 6 polychlorinated naphthalene preparations using two-dimensional gas chromatography-combustion furnace-isotope ratio mass spectrometry (2DGC-C-IRMS). Development of 2DGC-IRMS enabled improved resolution and sensitivity of compound-specific carbon isotope analysis (CSIA) of CB or CN congeners. Delta13C values of PCB congeners ranged from -34.4 (Delors) to -22.0/1000 (Sovol). Analogous PCB preparations with similar chlorine content, but different geographical origin, had different delta13C values. PCB preparations from Eastern European countries--Delors, Sovol, Trichlorodiphenyl, and Chlorofen--had distinct delta13C values. PCB mixtures showed increased 13C depletion with increasing chlorine content. Delta13C values for individual CB congeners varied depending on the degree of chlorination in technical mixtures. Delta13C values of CN congeners in Halowaxes ranged from -26.3 to -21.7/1000 and these values are within the ranges observed for PCBs. This study establishes the range of delta13C values in technical PCB and PCN preparations, which may prove to be useful in the determination of sources of these compounds in the environment. This is the first study to employ 2DGC-IRMS analysis of delta13C values in technical PCB and PCN preparations.

  5. Monitoring the functionalization of single-walled carbon nanotubes with chitosan and folic acid by two-dimensional diffusion-ordered nmr spectroscopy

    DEFF Research Database (Denmark)

    Castillo, John J.; Torres, Mary H.; Molina, Daniel R.


    A conjugate between single-walled carbon nanotubes, chitosan and folic acid has been prepared. It was characterized by diffusion ordered two-dimensional hydrogen-1 nuclear magnetic resonance and hydrogen-1 nuclear magnetic resonance spectroscopy which revealed the presence of a conjugate that was......A conjugate between single-walled carbon nanotubes, chitosan and folic acid has been prepared. It was characterized by diffusion ordered two-dimensional hydrogen-1 nuclear magnetic resonance and hydrogen-1 nuclear magnetic resonance spectroscopy which revealed the presence of a conjugate...... that was generated by the linkage between the carboxyl moiety of the folic acid and the amino group of the chitosan, which in turn was non-covalently bound to the single-walled carbon nanotubes. The obtained diffusion coefficient values demonstrated that free folic acid diffused more rapidly than the folic acid...... conjugated to single-walled carbon nanotubes-chitosan. The values of the proton signal of hydrogen-1 nuclear magnetic resonance spectroscopy and two-dimensional hydrogen-1 nuclear magnetic resonance spectroscopy further confirmed that the folic acid was conjugated to the chitosan, wrapping the single...

  6. Investigational study of optical function materials for two-dimensional data processing; Nijigen joho shoriyo hikari kino zairyo ni kansuru chosa kenkyu

    Energy Technology Data Exchange (ETDEWEB)



    The paper investigated/studied `space light modulation materials,` `dynamic hologram/memory materials,` `optical waveguide path materials,` etc. which become key materials in the high speed two dimensional processing. As to electrooptical materials proposed in this investigational study, the external electric field and the electric charges generated make quality of molecules themselves directly change to memory strong/weak signals of light. Therefore, the response velocity becomes less than a millionth of that of the liquid crystal display, and high speed which is needed for realtime moving image processing is anticipated. Hologram includes the phase information in addition to information on light strength. Therefore, it is a large capacity record medium and at the same time a record medium which can read/write two dimensional information as it is. With optical fiber, images cannot be transmitted as they are. Light waveguide path materials are those that accumulate roles of mirror and lens in a sheet of the material and construct a system which is strong in vibration, as optical parts connecting among materials for two dimensional data processing. 273 refs., 107 figs., 17 tabs.

  7. Dirac Electrons in Two-Dimensional Hexagonal Crystalline Materials%二维六角晶体材料中的Dirac电子

    Institute of Scientific and Technical Information of China (English)

    翟学超; 戚凤华; 许亚芳; 周兴飞; 金国钧


    本文综述由碳、硅、硼氮和二硫化钼等单元素或双元素构成的二维六角晶体材料中Dirac电子的研究成果与最新进展。文章从引言开始,接着介绍这些二维六角晶体材料的空间结构和基本电子性质;然后探讨外场调控下这些材料在能谱和光吸收、量子输运、激子凝聚和热Josephson效应,以及拓扑量子相变等方面所表现出来的新奇的物理现象、简要的理论处理和可能的应用前景;最后给出二维六角晶体材料相关研究的总结和展望。谨以本文献给南京大学建立物理学科100周年。%We review here the research results and latest progress in studying Dirac electrons in two-dimensional hexagonal crystalline materials composed of single element or double elements like carbon, silicon, boron nitride and molybdenum disulfide. Following a short introduction, the pa-per discusses the spatial structures and elementary electronic properties of the two-dimensional hexagonal crystalline materials, and analyzes the novel physical phenomena, provides simple the-oretical treatments and shows possible applications in near future, involved in the energy spectra and optical absorption, quantum transport, exciton condensation and thermal Josephson effect, as well as topological quantum phase transitions under external fields;finally it gives a summary and perspective for the field. We would like to present this paper to the 100 anniversary of physical discipline in Nanjing University.

  8. Mesoscopic current transport in two-dimensional materials with grain boundaries: Four-point probe resistance and Hall effect (United States)

    Lotz, Mikkel R.; Boll, Mads; Østerberg, Frederik W.; Hansen, Ole; Petersen, Dirch H.


    We have studied the behavior of micro four-point probe (M4PP) measurements on two-dimensional (2D) sheets composed of grains of varying size and grain boundary resistivity by Monte Carlo based finite element (FE) modelling. The 2D sheet of the FE model was constructed using Voronoi tessellation to emulate a polycrystalline sheet, and a square sample was cut from the tessellated surface. Four-point resistances and Hall effect signals were calculated for a probe placed in the center of the square sample as a function of grain density n and grain boundary resistivity ρ GB . We find that the dual configuration sheet resistance as well as the resistance measured between opposing edges of the square sample have a simple unique dependency on the dimension-less parameter √{ n } ρ GB G 0 , where G0 is the sheet conductance of a grain. The value of the ratio R A / R B between resistances measured in A- and B-configurations depends on the dimensionality of the current transport (i.e., one- or two-dimensional). At low grain density or low grain boundary resistivity, two-dimensional transport is observed. In contrast, at moderate grain density and high grain resistivity, one-dimensional transport is seen. Ultimately, this affects how measurements on defective systems should be interpreted in order to extract relevant sample parameters. The Hall effect response in all M4PP configurations was only significant for moderate grain densities and fairly large grain boundary resistivity.

  9. Atomic Defects in Two-Dimensional Materials: From Single-Atom Spectroscopy to Functionalities in Opto-/Electronics, Nanomagnetism, and Catalysis. (United States)

    Hong, Jinhua; Jin, Chuanhong; Yuan, Jun; Zhang, Ze


    Two-dimensional layered graphene-like crystals including transition-metal dichalcogenides (TMDs) have received extensive research interest due to their diverse electronic, valleytronic, and chemical properties, with the corresponding optoelectronics and catalysis application being actively explored. However, the recent surge in two-dimensional materials science is accompanied by equally great challenges, such as defect engineering in large-scale sample synthesis. It is necessary to elucidate the effect of structural defects on the electronic properties in order to develop an application-specific strategy for defect engineering. Here, two aspects of the existing knowledge of native defects in two-dimensional crystals are reviewed. One is the point defects emerging in graphene and hexagonal boron nitride, as probed by atomically resolved electron microscopy, and their local electronic properties, as measured by single-atom electron energy-loss spectroscopy. The other will focus on the point defects in TMDs and their influence on the electronic structure, photoluminescence, and electric transport properties. This review of atomic defects in two-dimensional materials will offer a clear picture of the defect physics involved to demonstrate the local modulation of the electronic properties and possible benefits in potential applications in magnetism and catalysis.

  10. Introducing 2D Materials—a new multidisciplinary journal devoted to all aspects of graphene and related two-dimensional materials (United States)

    Fal'ko, Vladimir I.


    On behalf of the Editorial Board and IOP Publishing, I am pleased to announce the opening of 2D Materials. Research on two-dimensional materials, such as graphene, now involves thousands of researchers worldwide cutting across physics, chemistry, engineering and biology, and extending from fundamental science to novel applications. It is this situation which defines the scope and mission of 2D Materials, a new journal that will serve all sides of this multidisciplinary field by publishing urgent research of the highest quality and impact.

  11. Partial chiral symmetry-breaking as a route to spectrally isolated topological defect states in two-dimensional artificial materials (United States)

    Poli, Charles; Schomerus, Henning; Bellec, Matthieu; Kuhl, Ulrich; Mortessagne, Fabrice


    Bipartite quantum systems from the chiral universality classes admit topologically protected zero modes at point defects. However, in two-dimensional systems these states can be difficult to separate from compacton-like localized states that arise from flat bands, formed if the two sublattices support a different number of sites within a unit cell. Here we identify a natural reduction of chiral symmetry, obtained by coupling sites on the majority sublattice, which gives rise to spectrally isolated point-defect states, topologically characterized as zero modes supported by the complementary minority sublattice. We observe these states in a microwave realization of a dimerized Lieb lattice with next-nearest neighbour coupling, and also demonstrate topological mode selection via sublattice-staggered absorption.

  12. Two-dimensional MoTe2 materials: From synthesis, identification, and charge transport to electronics applications (United States)

    Chang, Yuan-Ming; Lin, Che-Yi; Lin, Yen-Fu; Tsukagoshi, Kazuhito


    We present a review of recent developments in the synthesis, thickness identification, electronic properties, and possible applications of layered MoTe2 flakes. Special emphasis is made on two-dimensional (2D) MoTe2 semiconductors and the extensive research in recent years on their applications in electronics. Layered MoTe2 flakes have been the focus of substantial interest in the research community because of their fascinating characteristics, including an appropriate band gap and a simple fabrication method (exfoliation) to form layered nanomaterials. Our aim is to provide the readers an overview of layered MoTe2 flakes and to understand their properties, which may lead to their applications in micro- and nanoelectronics.

  13. Effects of doubled carbon dioxide on rainfall responses to large-scale forcing: A two-dimensional cloud-resolving modeling study (United States)

    Li, Xiaofan; Shen, Xinyong; Liu, Jia


    Rainfall responses to doubled atmospheric carbon dioxide concentration were investigated through the analysis of two pairs of two-dimensional cloud-resolving model sensitivity experiments. One pair of experiments simulated pre-summer heavy rainfall over southern China around the summer solstice, whereas the other pair of experiments simulated tropical rainfall around the winter solstice. The analysis of the time and model domain mean heat budget revealed that the enhanced local atmospheric warming was associated with doubled carbon dioxide through the weakened infrared radiative cooling during the summer solstice. The weakened mean pre-summer rainfall corresponded to the weakened mean infrared radiative cooling. Doubled carbon dioxide increased the mean tropical atmospheric warming via the enhanced mean latent heat in correspondence with the strengthened mean infrared radiative cooling during the winter solstice. The enhanced mean tropical rainfall was associated with the increased mean latent heat.

  14. Carbon nanotube composite materials

    Energy Technology Data Exchange (ETDEWEB)

    O' Bryan, Gregory; Skinner, Jack L; Vance, Andrew; Yang, Elaine Lai; Zifer, Thomas


    A material consisting essentially of a vinyl thermoplastic polymer, un-functionalized carbon nanotubes and hydroxylated carbon nanotubes dissolved in a solvent. Un-functionalized carbon nanotube concentrations up to 30 wt % and hydroxylated carbon nanotube concentrations up to 40 wt % can be used with even small concentrations of each (less than 2 wt %) useful in producing enhanced conductivity properties of formed thin films.

  15. Carbon nanotube composite materials (United States)

    O'Bryan, Gregory; Skinner, Jack L; Vance, Andrew; Yang, Elaine Lai; Zifer, Thomas


    A material consisting essentially of a vinyl thermoplastic polymer, un-functionalized carbon nanotubes and hydroxylated carbon nanotubes dissolved in a solvent. Un-functionalized carbon nanotube concentrations up to 30 wt % and hydroxylated carbon nanotube concentrations up to 40 wt % can be used with even small concentrations of each (less than 2 wt %) useful in producing enhanced conductivity properties of formed thin films.

  16. Influence of out-of-plane response on optical properties of two-dimensional materials: First principles approach (United States)

    Matthes, Lars; Pulci, Olivia; Bechstedt, Friedhelm


    The ab initio calculation of optical spectra of sheet crystals usually arranges them in a three-dimensional superlattice with a sufficiently large interlayer distance. We show how the resulting frequency-dependent dielectric tensor is related to the anisotropic optical conductivity of an individual sheet or to the dielectric tensor of a corresponding film with thickness d . Their out-of-plane component is taken into account, in contrast to usual treatments. We demonstrate that the generalized transfer-matrix method to model the optical properties of a layer system containing a sheet crystal accounts for all tensor components. As long as d ≪λ (λ -wavelength of light) this generalized formulation of the optical properties for anisotropic two-dimensional (2D) systems of arbitrary thickness reproduces the limits found in literature that are based either on electromagnetic boundary conditions for a conducting surface or on an isotropic dielectric tensor. For s -polarized light, the results are independent of the sheet description. For oblique incidence of p -polarized light, the tensor nature of the optical conductivity (or the dielectric function) of the sheet crystal strongly impacts on reflectance, transmittance, and absorbance due to the out-of-plane optical conductivity. The limit d →0 should be taken in the final expressions. Example spectra are given for the group-IV honeycomb 2D crystals graphene and silicene.

  17. Adulteration screening of botanical materials by a sensitive and model-free approach using infrared spectroscopic imaging and two-dimensional correlation infrared spectroscopy (United States)

    Chen, Jian-bo; Zhou, Qun; Sun, Su-qin


    Infrared (IR) spectroscopy is often used as a simple, fast, and green method for the adulteration screening of botanical materials for foods and herbs. However, the overlapping of absorption signals of various substances significantly decrease the sensitivity and specificity of IR spectroscopy in the detection of adulterated samples. In this research, a model-free approach is proposed for the sensitive and non-targeted screening of botanical materials adulterated by adding other plant materials. First, the spectra of the entities in the test sample are collected by near-infrared spectroscopic imaging and clustered by unsupervised pattern recognition methods. The sample may be adulterated if there are two or more clusters of the entities. Next, the entities of different clusters are characterized by mid-infrared spectroscopy to interpret the chemical compositions to determine the clustering is caused whether by adulteration or other reasons. Second derivative spectroscopy and two-dimensional correlation spectroscopy are often needed to resolve the overlapped bands mathematically or experimentally to find the characteristic signals to identify the authentic and adulterant entities. The feasibility of this approach was proved by the simulated adulterated sample of saffron. In conclusion, botanical materials adulterated by adding other plant materials can be detected by a simple, fast, sensitive, and green screening approach using IR spectroscopic imaging, two-dimensional correlation spectroscopy, and necessary chemometrics techniques.

  18. Enantiomeric separation and quantification of ephedrine-type alkaloids in herbal materials by comprehensive two-dimensional gas chromatography. (United States)

    Wang, Min; Marriott, Philip J; Chan, Wing-Hong; Lee, Albert W M; Huie, Carmen W


    The separation of ephedrine-type alkaloids and their enantiomers in raw herbs and commercial herbal products was investigated by carrying out enantioselective separation in the first-dimension column (containing beta-cyclodextrin as the chiral selector) of a comprehensive two-dimensional gas chromatography (GC x GC) system, whereas a polar polyethylene glycol capillary column was used for separation in the second dimension. Naturally occurring ephedrine-type alkaloids and their synthetic analogues (enantiomeric counterparts) were adequately resolved from each other, as well as from potential interference species in the sample matrix using GC x GC, whereas single column GC analysis was unable to separate all the alkaloids of interest. Detection limits in the order of 0.1-1.3 microg/mL and linearity of calibration with R(2)>or=0.999 over approximately the range of 0.5-100 microg/mL for the quantitative determination of various ephedrine-type alkaloids were obtained. The commercial herbal products tested contained mostly (-)-ephedrine, (+)-pseudoephedrine, (-)-N-methylephedrine and (-)-norephedrine, with concentrations in the range of 40-2100, 0-1,300, 15-300 and 0-30 microg/g of the product, respectively, and repeatability of analysis was generally in the range of 1-5%. The present GCxGC method is effective and useful for the determination of the dosage levels of the principle ephedrine-type alkaloids in commercial health supplements and complex raw herb formulations, as well the differentiation of ephedrine-containing products that were derived from natural plant or synthetic sources, e.g., simply by visualizing the presence or absence of the enantiomeric pairs of (+/-) ephedrine and (+/-)-N-methylephedrine in the GC x GC chromatograms.

  19. Nitrogen-doped two-dimensional porous carbon sheets derived from clover biomass for high performance supercapacitors (United States)

    Wang, Cunjing; Wu, Dapeng; Wang, Hongju; Gao, Zhiyong; Xu, Fang; Jiang, Kai


    Highly porous carbon sheets were prepared from fresh clover stems under air atmosphere via a facile potassium chloride salt-sealing technique, which not only avoids using the high cost inert gas protection but also spontaneously introduce multi-level porosity into the carbon structure taking advantage of the trace of oxygen in the molten salt system. The as-obtained porous carbon sheets possess high specific surface area of 2244 m2 g-1 and interconnected hierarchical pore structures from micro-to macro-scale, which provide abundant storage active sites and fast ion diffusion channels. In addition, the spontaneously formed N (2.55 at%) and O (6.94 at%) doping sites not only improve the electron conductivity of the electrode but also enhance the specific capacitance by introducing pseudocapacitance. When employed as supercapacitor electrodes, a high specific capacitance of 436 F g-1 at 1 A g-1 and an excellent rate capacity with capacitance remaining 290 F g-1 at 50 A g-1 are demonstrated. Furthermore, the assembled symmetric supercapacitor delivers a high specific capacitance of 420 F g-1 at 0.5 A g-1, excellent energy density of 58.4 Wh kg-1 and good cycling stability which retains 99.4% of the initial capacitance at 5 A g-1 after 30,000 cycles.

  20. Two-Dimensional Analytical Modeling Of Threshold Voltage Of Doped Short-Channel Triple-Material Double-Gate (TM-DG MOSFET’S

    Directory of Open Access Journals (Sweden)

    Sarvesh Dubey


    Full Text Available In this paper, a short-channel threshold voltage model is presented for triple-material double-gate(TM-DG MOSFET with uniform doping profile in the channel region. To obtain the channel potential expression, the two-dimensional (2D Poisson’s equation has been solved using the parabolic potential approximation with suitable boundary conditions. Subsequently, the surface potential expression has been employed to derive an analytical expression of thresholod. The threshold voltage variation with various device parameters has been shown. To validate the model, ATLASTM based numerical simulation results have been used.

  1. Two-dimensional layered compound based anode materials for lithium-ion batteries and sodium-ion batteries. (United States)

    Xie, Xiuqiang; Wang, Shijian; Kretschmer, Katja; Wang, Guoxiu


    Rechargeable batteries, such as lithium-ion and sodium-ion batteries, have been considered as promising energy conversion and storage devices with applications ranging from small portable electronics, medium-sized power sources for electromobility, to large-scale grid energy storage systems. Wide implementations of these rechargeable batteries require the development of electrode materials that can provide higher storage capacities than current commercial battery systems. Within this greater context, this review will present recent progresses in the development of the 2D material as anode materials for battery applications represented by studies conducted on graphene, molybdenum disulfide, and MXenes. This review will also discuss remaining challenges and future perspectives of 2D materials in regards to a full utilization of their unique properties and interactions with other battery components.

  2. Metallic carbon materials

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, M.L.; Crespi, V.H.; Louie, S.G.S.; Zettl, A.K.


    Novel metallic forms of planar carbon are described, as well as methods of designing and making them. Nonhexagonal arrangements of carbon are introduced into a graphite carbon network essentially without destroying the planar structure. Specifically a form of carbon comprising primarily pentagons and heptagons, and having a large density of states at the Fermi level is described. Other arrangements of pentagons and heptagons that include some hexagons, and structures incorporating squares and octagons are additionally disclosed. Reducing the bond angle symmetry associated with a hexagonal arrangement of carbons increases the likelihood that the carbon material will have a metallic electron structure.

  3. Tuning structural and mechanical properties of two-dimensional molecular crystals: the roles of carbon side chains. (United States)

    Cun, Huanyao; Wang, Yeliang; Du, Shixuan; Zhang, Lei; Zhang, Lizhi; Yang, Bing; He, Xiaobo; Wang, Yue; Zhu, Xueyan; Yuan, Quanzi; Zhao, Ya-Pu; Ouyang, Min; Hofer, Werner A; Pennycook, Stephen J; Gao, Hong-jun


    A key requirement for the future applicability of molecular electronics devices is a resilience of their properties to mechanical deformation. At present, however, there is no fundamental understanding of the origins of mechanical properties of molecular films. Here we use quinacridone, which possesses flexible carbon side chains, as a model molecular system to address this issue. Eight molecular configurations with different molecular coverage are identified by scanning tunneling microscopy. Theoretical calculations reveal quantitatively the roles of different molecule-molecule and molecule-substrate interactions and predict the observed sequence of configurations. Remarkably, we find that a single Young's modulus applies for all configurations, the magnitude of which is controlled by side chain length, suggesting a versatile avenue for tuning not only the physical and chemical properties of molecular films but also their elastic properties.

  4. Effects on the Thermo-Mechanical and Crystallinity Properties of Nylon 6,6 Electrospun Fibres Reinforced with One Dimensional (1D and Two Dimensional (2D Carbon

    Directory of Open Access Journals (Sweden)

    Francisco Medellín-Rodríguez


    Full Text Available Electrospun one dimensional (1D and two dimensional (2D carbon based polymer nanocomposites are studied in order to determine the effect provided by the two differently structured nanofillers on crystallinity and thermo-mechanical properties of the nanofibres. The nanomaterials studied are pristine carbon nanotubes, oxidised carbon nanotubes, reduced graphene oxide and graphene oxide. Functional groups associated with the order structure of the polymers are analysed by infrared and Raman spectroscopies; the morphology is studied by scanning electron microscopy and the crystallinity properties are investigated by differential scanning calorimetry and X-ray diffraction. Differences in crystallisation behaviour between 1D and 2D carbon based nanofibres are shown by their crystallinity degree and their crystal sizes. The nanocomposite crystal sizes perpendicular to the plane (100 decrease with nanofiller content in all cases. The crystallinity trend and crystal sizes are in accordance with storage modulus response. The results also suggest that functionalisation favours interfacial bonding and dispersion of the nanomaterials within the polymer matrix. As a consequence the number of nucleating sites increases which in turn decreases the crystal size in the nanocomposites. These features explain the improved thermo-mechanical properties in the nanocomposites.

  5. Design strategy of two-dimensional material field-effect transistors: Engineering the number of layers in phosphorene FETs (United States)

    Yin, Demin; Yoon, Youngki


    Thickness or the number of layers in 2D semiconductors is a key parameter to determine the material's electronic properties and the overall device performance of 2D material electronics. Here, we discuss the engineering practice of optimizing material and device parameters of phosphorene field-effect transistors (FETs) by means of self-consistent atomistic quantum transport simulations, where the impacts of different numbers of phosphorene layers on various device characteristics are explored in particular, considering two specific target applications of high-performance and low-power devices. Our results suggest that, for high-performance applications, monolayer phosphorene should be utilized in a conventional FET structure since it can provide the equally large on current as other multilayer phosphorenes (Ion > 1 mA/μm) without showing a penalty of relatively lower density of states, along with favorableness for steep switching and large immunity to gate-induced drain leakage. On the other hand, more comprehensive approach is required for low-power applications, where operating voltage, doping concentration, and channel length should be carefully engineered along with the thickness of phosphorene in tunnel FET (TFET) structure to achieve ultra-low leakage current without sacrificing on current significantly. Our extensive simulation results revealed that either bilayer or trilayer phosphorene can provide the best performance in TFET with the maximum Ion/Ioff of ˜2 × 1011 and the subthreshold swing as low as 13 mV/dec. In addition, our comparative study of phosphorene-based conventional FET and TFET clearly shows the feasibility and the limitation of each device for different target applications, providing irreplaceable insights into the design strategy of phosphorene FETs that can be also extended to other similar layered material electronic devices.

  6. The structures and properties of the new two-dimensional inorganic–organic hybrid materials based on the molybdate chains

    Energy Technology Data Exchange (ETDEWEB)

    Li, Na; Mu, Bao; Cao, Xinyu; Huang, Rudan, E-mail:


    A series of inorganic organic hybrid materials based on polyoxometalates(POMs), namely, [M{sup II}(HL){sub 2}(H{sub 2}O){sub 2}][Mo{sup VI}{sub 6}O{sub 20}] [M=Co (1), Ni (2), Cu (3), Zn (4)], [Mn{sup IV}L{sub 2}(H{sub 2}O){sub 2}][Mo{sup VI}{sub 6}O{sub 20}] (5), and (HL){sub 3}PMO{sub 12}O{sub 40} (6) [L=3-(4-pyridyl)pyrazole], have been synthesized. The compounds have been characterized by elemental analysis, powder X-ray diffraction (PXRD) and single-crystal X-ray diffraction. The results from single-crystal X-ray diffraction indicate that 1–5 are isostructural. It is worth noting that the polyanions are bridged by Mo–O–Mo to form 1D inorganic chains, which are further connected via M ions to form 2D nets. In compound 6, the ligands are used as the positive ions to balance the charge of the compound. Moreover, the magnetic properties of compound 5 have also been investigated in detail. - Graphical abstract: In complex 1, The Co ion is six coordinated by four oxygen atoms from two Mo{sub 6}O{sub 20} and two water molecules, and two N atoms from two different ligand. It is noticeable that there is an one-dimensional chain molybdate, which is combined by O–Mo–O, then the chain parallel with each other, the Mo{sub 6} anion acts as a bidentate ligand providing O7 atoms to bridge CoII ions to form a 2D inorganic layer. Finally every nets become 3D structure by hydrogen bond. - Highlights: • Novel inorganic–organic hybrid materials have been prepared. • Compounds 1–5 contain the 1D molybdate chains composed of (MoO{sub 6}) octahedra. • The 1D chains parallel with each other to form a 2D inorganic layer.

  7. Optical selection rules for excitonic Rydberg series in the massive Dirac cones of hexagonal two-dimensional materials (United States)

    Gong, Pu; Yu, Hongyi; Wang, Yong; Yao, Wang


    We investigate the optical transition selection rules for excitonic Rydberg series formed in massive Dirac cones. The entanglement of the exciton envelop function with the pseudospin texture leads to anomalous selection rules for one-photon generation of excitons, where d orbitals can be excited with the opposite helicity selection rule from the s orbitals in a given valley. The trigonal warping effects in realistic hexagonal lattices further renders more excited states bright, where p orbitals can also be accessed by one-photon excitation with the opposite valley selection rules to the s orbitals. The one-photon generation of exciton in the various states and the intraexcitonic transition between these states are both dictated by the discrete in-plane rotational symmetry of the lattices, and our results show that in hexagonal 2D materials the symmetry allowed transitions are enabled when trigonal warping effects are included in the massive Dirac fermion model. In monolayer transition metal dichalcogenides where excitons can be generated by visible light and intraexcitonic transitions can be induced by infrared light, we give the strength of these optical transitions, estimated using modified hydrogenlike envelope functions combined with the optical transition matrix elements between the Bloch states calculated at various k points.

  8. Study of collective radial breathing-like modes in double-walled carbon nanotubes: combination of continuous two-dimensional membrane theory and Raman spectroscopy (United States)

    Levshov, Dmitry I.; Avramenko, Marina V.; Than, Xuan-Tinh; Michel, Thierry; Arenal, Raul; Paillet, Matthieu; Rybkovskiy, Dmitry V.; Osadchy, Alexander V.; Rochal, Sergei B.; Yuzyuk, Yuri I.; Sauvajol, Jean-Louis


    Radial breathing modes (RBMs) are widely used for the atomic structure characterization and index assignment of single-walled carbon nanotubes (SWNTs) from resonant Raman spectroscopy. However, for double-walled carbon nanotubes (DWNTs), the use of conventional ωRBM(d) formulas is complicated due to the van der Waals interaction between the layers, which strongly affects the frequencies of radial modes and leads to new collective vibrations. This paper presents an alternative way to theoretically study the collective radial breathing-like modes (RBLMs) of DWNTs and to account for interlayer interaction, namely the continuous two-dimensional membrane theory. We obtain an analytical ωRBLM(do,di) relation, being the equivalent of the conventional ωRBM(d) expressions, established for SWNTs. We compare our theoretical predictions with Raman data, measured on individual index-identified suspended DWNTs, and find a good agreement between experiment and theory. Moreover, we show that the interlayer coupling in individual DWNTs strongly depends on the interlayer distance, which is manifested in the frequency shifts of the RBLMs with respect to the RBMs of the individual inner and outer tubes. In terms of characterization, this means that the combination of Raman spectroscopy data and predictions of continuous membrane theory may give additional criteria for the index identification of DWNTs, namely the interlayer distance.

  9. Depth profiling of SBS/PET layered materials using step-scan phase modulation Fourier transform infrared photoacoustic spectroscopy and two-dimensional correlation analysis

    Institute of Scientific and Technical Information of China (English)


    This paper demonstrates the application of step-scan phase modulation Fourier transform infrared photoacoustic spectroscopy(FTIR-PAS) in non-destructively depth profiling of styrene-butadiene-styrene block copolymer/polyethylene terephthalate(SBS/PET) layered materials.The surface thicknesses of three layered samples were determined to be 1.2,4.3 and 9.4μm by using phase difference analysis,overcoming the spatial detection limits of FTIR.Combined with generalized two-dimensional(G2D) FTIR correlation analysis,the spatial origins of peaks in the SBS/PET spectrum are identified with those having overlapping peaks between different layers are resolved.

  10. Comparative Study of Potential Applications of Graphene, MoS2, and Other Two-Dimensional Materials in Energy Devices, Sensors, and Related Areas. (United States)

    Rao, C N R; Gopalakrishnan, K; Maitra, Urmimala


    Novel properties of graphene have been well documented, whereas the importance of nanosheets of MoS2 and other chalcogenides is increasingly being recognized over the last two to three years. Borocarbonitrides, BxCyNz, with insulating BN and conducting graphene on either side are new materials whose properties have been attracting attention. These two-dimensional (2D) materials contain certain common features. Thus, graphene, MoS2, and borocarbonitrides have all been used in supercapacitor applications, oxygen reduction reactions (ORRs), and lithium-ion batteries. It is instructive, therefore, to make a comparative study of some of the important properties of these layered materials. In this article, we discuss properties related to energy devices at length. We examine the hydrogen evolution reaction facilitated by graphene, MoS2, and related materials. We also discuss gas and radiation sensors based on graphene and MoS2 as well as gas storage properties of graphene and borocarbonitrides. The article should be useful in making a judicious choice of which 2D material to use for a particular application.

  11. Prediction of intrinsic two-dimensional ferroelectrics in In2Se3 and other III2-VI3 van der Waals materials (United States)

    Ding, Wenjun; Zhu, Jianbao; Wang, Zhe; Gao, Yanfei; Xiao, Di; Gu, Yi; Zhang, Zhenyu; Zhu, Wenguang


    Interest in two-dimensional (2D) van der Waals materials has grown rapidly across multiple scientific and engineering disciplines in recent years. However, ferroelectricity, the presence of a spontaneous electric polarization, which is important in many practical applications, has rarely been reported in such materials so far. Here we employ first-principles calculations to discover a branch of the 2D materials family, based on In2Se3 and other III2-VI3 van der Waals materials, that exhibits room-temperature ferroelectricity with reversible spontaneous electric polarization in both out-of-plane and in-plane orientations. The device potential of these 2D ferroelectric materials is further demonstrated using the examples of van der Waals heterostructures of In2Se3/graphene, exhibiting a tunable Schottky barrier, and In2Se3/WSe2, showing a significant band gap reduction in the combined system. These findings promise to substantially broaden the tunability of van der Waals heterostructures for a wide range of applications.

  12. Thermal properties of graphene and nanostructured carbon materials (United States)

    Balandin, Alexander A.


    Recent years have seen a rapid growth of interest by the scientific and engineering communities in the thermal properties of materials. Heat removal has become a crucial issue for continuing progress in the electronic industry, and thermal conduction in low-dimensional structures has revealed truly intriguing features. Carbon allotropes and their derivatives occupy a unique place in terms of their ability to conduct heat. The room-temperature thermal conductivity of carbon materials span an extraordinary large range -- of over five orders of magnitude -- from the lowest in amorphous carbons to the highest in graphene and carbon nanotubes. Here, I review the thermal properties of carbon materials focusing on recent results for graphene, carbon nanotubes and nanostructured carbon materials with different degrees of disorder. Special attention is given to the unusual size dependence of heat conduction in two-dimensional crystals and, specifically, in graphene. I also describe the prospects of applications of graphene and carbon materials for thermal management of electronics.

  13. Band-gap tuning and optical response of two-dimensional SixC1 -x : A first-principles real-space study of disordered two-dimensional materials (United States)

    Sadhukhan, Banasree; Singh, Prashant; Nayak, Arabinda; Datta, Sujoy; Johnson, Duane D.; Mookerjee, Abhijit


    We present a real-space formulation for calculating the electronic structure and optical conductivity of random alloys based on Kubo-Greenwood formalism interfaced with augmented space recursion technique [Mookerjee, J. Phys. C 6, 1340 (1973), 10.1088/0022-3719/6/8/003] formulated with the tight-binding linear muffin-tin orbital basis with the van Leeuwen-Baerends corrected exchange potential [Singh, Harbola, Hemanadhan, Mookerjee, and Johnson, Phys. Rev. B 93, 085204 (2016), 10.1103/PhysRevB.93.085204]. This approach has been used to quantitatively analyze the effect of chemical disorder on the configuration averaged electronic properties and optical response of two-dimensional honeycomb siliphene SixC1 -x beyond the usual Dirac-cone approximation. We predicted the quantitative effect of disorder on both the electronic structure and optical response over a wide energy range, and the results are discussed in the light of the available experimental and other theoretical data. Our proposed formalism may open up a facile way for planned band-gap engineering in optoelectronic applications.

  14. Biomolecule-assisted exfoliation and dispersion of graphene and other two-dimensional materials: a review of recent progress and applications. (United States)

    Paredes, J I; Villar-Rodil, S


    Direct liquid-phase exfoliation of layered materials by means of ultrasound, shear forces or electrochemical intercalation holds enormous promise as a convenient, cost-effective approach to the mass production of two-dimensional (2D) materials, particularly in the form of colloidal suspensions of high quality and micrometer- and submicrometer-sized flakes. Of special relevance due to environmental and practical reasons is the production of 2D materials in aqueous medium, which generally requires the use of certain additives (surfactants and other types of dispersants) to assist in the exfoliation and colloidal stabilization processes. In this context, biomolecules have received, in recent years, increasing attention as dispersants for 2D materials, as they provide a number of advantages over more conventional, synthetic surfactants. Here, we review research progress in the use of biomolecules as exfoliating and dispersing agents for the production of 2D materials. Although most efforts in this area have focused on graphene, significant advances have also been reported with transition metal dichalcogenides (MoS2, WS2, etc.) or hexagonal boron nitride. Particular emphasis is placed on the specific merits of different types of biomolecules, including proteins and peptides, nucleotides and nucleic acids (RNA, DNA), polysaccharides, plant extracts and bile salts, on their role as efficient colloidal dispersants of 2D materials, as well as on the potential applications that have been explored for such biomolecule-exfoliated materials. These applications are wide-ranging and encompass the fields of biomedicine (photothermal and photodynamic therapy, bioimaging, biosensing, etc.), energy storage (Li- and Na-ion batteries), catalysis (e.g., catalyst supports for the oxygen reduction reaction or electrocatalysts for the hydrogen evolution reaction), or composite materials. As an incipient area of research, a number of knowledge gaps, unresolved issues and novel future

  15. Two dimensional vernier (United States)

    Juday, Richard D. (Inventor)


    A two-dimensional vernier scale is disclosed utilizing a cartesian grid on one plate member with a polar grid on an overlying transparent plate member. The polar grid has multiple concentric circles at a fractional spacing of the spacing of the cartesian grid lines. By locating the center of the polar grid on a location on the cartesian grid, interpolation can be made of both the X and Y fractional relationship to the cartesian grid by noting which circles coincide with a cartesian grid line for the X and Y direction.

  16. Two-dimensional hybrid layered materials: strain engineering on the band structure of MoS2/WSe2 hetero-multilayers (United States)

    Gu, Kunming; Yu, Sheng; Eshun, Kwesi; Yuan, Haiwen; Ye, Huixian; Tang, Jiaoning; Ioannou, Dimitris E.; Xiao, Changshi; Wang, Hui; Li, Qiliang


    In this paper, we report a comprehensive modeling and simulation study of constructing hybrid layered materials by alternately stacking MoS2 and WSe2 monolayers. Such hybrid MoS2/WSe2 hetero-multilayers exhibited direct bandgap semiconductor characteristics with bandgap energy (E g) in a range of 0.45-0.55 eV at room temperature, very attractive for optoelectronics (wavelength range 2.5-2.75 μm) based on thicker two-dimensional (2D) materials. It was also found that the interlayer distance has a significant impact on the electronic properties of the hetero-multilayers, for example a five orders of magnitude change in the conductance was observed. Three material phases, direct bandgap semiconductor, indirect bandgap semiconductor, and metal were observed in MoS2/WSe2 hetero-multilayers, as the interlayer distance decreased from its relaxed (i.e., equilibrium) value of about 6.73 Å down to 5.50 Å, representing a vertical pressure of about 0.8 GPa for the bilayer and 1.5 GPa for the trilayer. Such new hybrid layered materials are very interesting for future nanoelectronic pressure sensor and nanophotonic applications. This study describes a new approach to explore and engineer the construction and application of tunable 2D semiconductors.

  17. Topochemical Transformations of CaX2 (X=C, Si, Ge) to Form Free-Standing Two-Dimensional Materials. (United States)

    Pratik, Saied Md; Nijamudheen, A; Datta, Ayan


    Topochemical transformations of layered materials CaX2 (X=Si, Ge) are the method of choice for the high-yield synthesis of pristine, defect-free two-dimensional systems silicane and germanane, which have advanced electronic properties. Based on solid-state dispersion-corrected calculations, mechanisms for such transformations are elucidated that provide an in-depth understanding of phase transition in these layered materials. While formation of such layered materials is highly favorable for silicane and germanane, a barrier of 1.2 eV in the case of graphane precludes its synthesis from CaC2 topochemically. The energy penalty required for distorting linear acetylene into a trans-bent geometry accounts for this barrier. In contrast it is highly favorable in the heavier analogues, resulting in barrierless topochemical generation of silicane and germanane. Photochemical generation of the trans-bent structure of acetylene in its first excited state (S1 ) can directly generate graphane through a barrierless condensation. Unlike the buckled structure of silicene, the phase-h of CaSi2 with perfectly planar silicene layers exhibits the Dirac cones at the high symmetry points K and H. Interestingly, topochemical acidification of the cubic phase of calcium carbide is predicted to generate the previously elusive platonic hydrocarbon, tetrahedrane.

  18. In- and out-of-plane dynamic flexural behaviors of two-dimensional ensembles of vertically aligned single-walled carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Kiani, Keivan, E-mail:


    Useful nonlocal discrete and continuous models are developed to explain free vibration of two-dimensional (2D) ensembles of single-walled carbon nanotubes (SWCNTs) in bending. For this purpose, the models are constructed based on the nonlocal Rayleigh, Timoshenko, and higher-order beam theories. In contrast to an individual SWCNT exhibits identical bending behavior in different directions, for 2D ensemble networks of SWCNTs, it is shown that such a fact is completely dissimilar. Such an important issue leads to the definition of in-plane and out-of-plane flexural behaviors for such nanostructures. Subsequently, their corresponding fundamental frequencies are evaluated based on the proposed nonlocal models. The capabilities of the proposed nonlocal continuous models in predicting flexural frequencies of SWCNTs' ensembles with different numbers of SWCNTs as well as various levels of slenderness ratios are then explained. Such investigations confirm the high efficiency of the proposed continuous models. This matter would be of great importance in vibration analysis of highly populated ensembles of SWCNTs in which the discrete models may suffer from the size of the governing equations. The roles of the number of SWCNTs, slenderness ratio, intertube distance, small-scale parameter, and radius of the SWCNT on both in-plane and out-of-plane fundamental frequencies are addressed.

  19. Two-dimensional optical spectroscopy

    CERN Document Server

    Cho, Minhaeng


    Discusses the principles and applications of two-dimensional vibrational and optical spectroscopy techniques. This book provides an account of basic theory required for an understanding of two-dimensional vibrational and electronic spectroscopy.

  20. Efficient many-body calculations for two-dimensional materials using exact limits for the screened potential: Band gaps of MoS2, h -BN, and phosphorene (United States)

    Rasmussen, Filip A.; Schmidt, Per S.; Winther, Kirsten T.; Thygesen, Kristian S.


    Calculating the quasiparticle (QP) band structure of two-dimensional (2D) materials within the GW self-energy approximation has proven to be a rather demanding computational task. The main reason is the strong q dependence of the 2D dielectric function around q =0 that calls for a much denser sampling of the Brillouin zone (BZ) than is necessary for similar three-dimensional solids. Here, we use an analytical expression for the small q limit of the 2D response function to perform the BZ integral over the critical region around q =0 . This drastically reduces the requirements on the q -point mesh and implies a significant computational speedup. For example, in the case of monolayer MoS2, convergence of the G0W0 band gap to within ˜0.1 eV is achieved with 12 ×12 q points rather than the 36 ×36 mesh required with discrete BZ sampling techniques. We perform a critical assessment of the band gap of the three prototypical 2D semiconductors, MoS2, h -BN, and phosphorene, including the effect of self-consistency at the GW0 level. The method is implemented in the open source code gpaw.

  1. Haptic-2D: A new haptic test battery assessing the tactual abilities of sighted and visually impaired children and adolescents with two-dimensional raised materials. (United States)

    Mazella, Anaïs; Albaret, Jean-Michel; Picard, Delphine


    To fill an important gap in the psychometric assessment of children and adolescents with impaired vision, we designed a new battery of haptic tests, called Haptic-2D, for visually impaired and sighted individuals aged five to 18 years. Unlike existing batteries, ours uses only two-dimensional raised materials that participants explore using active touch. It is composed of 11 haptic tests, measuring scanning skills, tactile discrimination skills, spatial comprehension skills, short-term tactile memory, and comprehension of tactile pictures. We administered this battery to 138 participants, half of whom were sighted (n=69), and half visually impaired (blind, n=16; low vision, n=53). Results indicated a significant main effect of age on haptic scores, but no main effect of vision or Age × Vision interaction effect. Reliability of test items was satisfactory (Cronbach's alpha, α=0.51-0.84). Convergent validity was good, as shown by a significant correlation (age partialled out) between total haptic scores and scores on the B101 test (rp=0.51, n=47). Discriminant validity was also satisfactory, as attested by a lower but still significant partial correlation between total haptic scores and the raw score on the verbal WISC (rp=0.43, n=62). Finally, test-retest reliability was good (rs=0.93, n=12; interval of one to two months). This new psychometric tool should prove useful to practitioners working with young people with impaired vision.

  2. Modeling of anisotropic two-dimensional materials monolayer HfS{sub 2} and phosphorene metal-oxide semiconductor field effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Jiwon [SEMATECH, 257 Fuller Rd #2200, Albany, New York 12203 (United States)


    Ballistic transport characteristics of metal-oxide semiconductor field effect transistors (MOSFETs) based on anisotropic two-dimensional materials monolayer HfS{sub 2} and phosphorene are explored through quantum transport simulations. We focus on the effects of the channel crystal orientation and the channel length scaling on device performances. Especially, the role of degenerate conduction band (CB) valleys in monolayer HfS{sub 2} is comprehensively analyzed. Benchmarking monolayer HfS{sub 2} with phosphorene MOSFETs, we predict that the effect of channel orientation on device performances is much weaker in monolayer HfS{sub 2} than in phosphorene due to the degenerate CB valleys of monolayer HfS{sub 2}. Our simulations also reveal that at 10 nm channel length scale, phosphorene MOSFETs outperform monolayer HfS{sub 2} MOSFETs in terms of the on-state current. However, it is observed that monolayer HfS{sub 2} MOSFETs may offer comparable, but a little bit degraded, device performances as compared with phosphorene MOSFETs at 5 nm channel length.

  3. Synthesis, crystal structure, vibrational spectra, optical properties and theoretical investigation of a two-dimensional self-assembled organic-inorganic hybrid material (United States)

    Dammak, Hajer; Elleuch, Slim; Feki, Habib; Abid, Younes


    Organic-inorganic hybrid material of formula (C4H3SC2H4NH3)2[PbI4] was synthesized and studied by X-ray diffraction, Infrared absorption, Raman scattering, UV-Visible absorption and photoluminescence measurements. The molecule crystallizes as an organic-inorganic two-dimensional (2D) structure built up from infinite PbI6 octahedra surrounded by organic cations. Such a structure may be regarded as quantum wells system in which the inorganic layers act as semiconductor wells and the organic cations act as insulator barriers. Room temperature IR and Raman spectra were recorded in the 520-3500 and 10-3500 cm-1 frequency range, respectively. Optical absorption measurements performed on thin films of (C4H3SC2H4NH3)2[PbI4] revealed three distinct bands at 2.4, 2.66 and 3.25 eV. We also report DFT calculations of the electric dipole moments (μ), polarizability (α), the static first hyperpolarizability (β) and HOMO-LUMO analysis of the title compound investigated by GAUSSIAN 09 package. The calculated static first Hyperpolarizability is equal to 11.46 × 10-31 esu.

  4. Ionic Intercalation in Two-Dimensional van der Waals Materials: In Situ Characterization and Electrochemical Control of the Anisotropic Thermal Conductivity of Black Phosphorus. (United States)

    Kang, Joon Sang; Ke, Ming; Hu, Yongjie


    Two-dimensional van der Waals materials have shown novel fundamental properties and promise for wide applications. Here, we report for the first time an experimental demonstration of the in situ characterization and highly reversible control of the anisotropic thermal conductivity of black phosphorus. We develop a novel platform based on lithium ion batteries that integrates ultrafast optical spectroscopy and electrochemical control to investigate the interactions between lithium ions and the lattices of the black phosphorus electrode. We discover a strong dependence of the thermal conductivity on battery charge states (lithium concentrations) during the discharge/charge process. The thermal conductivity of black phosphorus is reversibly tunable over a wide range of 2.45-3.86, 62.67-85.80, and 21.66-27.58 W·m(-1)·K(-1) in the cross-plan, zigzag, and armchair directions, respectively. The modulation in thermal conductivity is attributed to phonon scattering introduced by the ionic intercalation in between the interspacing layers and shows anisotropic phonon scattering mechanism based on semiclassical model. At the fully discharged state (x ∼ 3 in LixP), a dramatic reduction of thermal conductivity by up to 6 times from that of the pristine crystal has been observed. This study provides a unique approach to explore the fundamental energy transport involving lattices and ions in the layered structures and may open up new opportunities in controlling energy transport based on novel operation mechanisms and the rational design of nanostructures.

  5. Predictive DFT-based approaches to charge and spin transport in single-molecule junctions and two-dimensional materials: successes and challenges. (United States)

    Quek, Su Ying; Khoo, Khoong Hong


    CONSPECTUS: The emerging field of flexible electronics based on organics and two-dimensional (2D) materials relies on a fundamental understanding of charge and spin transport at the molecular and nanoscale. It is desirable to make predictions and shine light on unexplained experimental phenomena independently of experimentally derived parameters. Indeed, density functional theory (DFT), the workhorse of first-principles approaches, has been used extensively to model charge/spin transport at the nanoscale. However, DFT is essentially a ground state theory that simply guarantees correct total energies given the correct charge density, while charge/spin transport is a nonequilibrium phenomenon involving the scattering of quasiparticles. In this Account, we critically assess the validity and applicability of DFT to predict charge/spin transport at the nanoscale. We also describe a DFT-based approach, DFT+Σ, which incorporates corrections to Kohn-Sham energy levels based on many-electron calculations. We focus on single-molecule junctions and then discuss how the important considerations for DFT descriptions of transport can differ in 2D materials. We conclude that when used appropriately, DFT and DFT-based approaches can play an important role in making predictions and gaining insight into transport in these materials. Specifically, we shall focus on the low-bias quasi-equilibrium regime, which is also experimentally most relevant for single-molecule junctions. The next question is how well can the scattering of DFT Kohn-Sham particles approximate the scattering of true quasiparticles in the junction? Quasiparticles are electrons (holes) that are surrounded by a constantly changing cloud of holes (electrons), but Kohn-Sham particles have no physical significance. However, Kohn-Sham particles can often be used as a qualitative approximation to quasiparticles. The errors in standard DFT descriptions of transport arise primarily from errors in the Kohn-Sham energy levels

  6. Mesoporous carbon materials (United States)

    Dai, Sheng; Fulvio, Pasquale Fernando; Mayes, Richard T.; Wang, Xiqing; Sun, Xiao-Guang; Guo, Bingkun


    A conductive mesoporous carbon composite comprising conductive carbon nanoparticles contained within a mesoporous carbon matrix, wherein the conductive mesoporous carbon composite possesses at least a portion of mesopores having a pore size of at least 10 nm and up to 50 nm, and wherein the mesopores are either within the mesoporous carbon matrix, or are spacings delineated by surfaces of said conductive carbon nanoparticles when said conductive carbon nanoparticles are fused with each other, or both. Methods for producing the above-described composite, devices incorporating them (e.g., lithium batteries), and methods of using them, are also described.

  7. Two-dimensional x-ray diffraction

    CERN Document Server

    He, Bob B


    Written by one of the pioneers of 2D X-Ray Diffraction, this useful guide covers the fundamentals, experimental methods and applications of two-dimensional x-ray diffraction, including geometry convention, x-ray source and optics, two-dimensional detectors, diffraction data interpretation, and configurations for various applications, such as phase identification, texture, stress, microstructure analysis, crystallinity, thin film analysis and combinatorial screening. Experimental examples in materials research, pharmaceuticals, and forensics are also given. This presents a key resource to resea

  8. Mobility anisotropy of two-dimensional semiconductors (United States)

    Lang, Haifeng; Zhang, Shuqing; Liu, Zhirong


    The carrier mobility of anisotropic two-dimensional semiconductors under longitudinal acoustic phonon scattering was theoretically studied using deformation potential theory. Based on the Boltzmann equation with the relaxation time approximation, an analytic formula of intrinsic anisotropic mobility was derived, showing that the influence of effective mass on mobility anisotropy is larger than those of deformation potential constant or elastic modulus. Parameters were collected for various anisotropic two-dimensional materials (black phosphorus, Hittorf's phosphorus, BC2N , MXene, TiS3, and GeCH3) to calculate their mobility anisotropy. It was revealed that the anisotropic ratio is overestimated by the previously described method.

  9. Predicting Two-Dimensional Silicon Carbide Monolayers. (United States)

    Shi, Zhiming; Zhang, Zhuhua; Kutana, Alex; Yakobson, Boris I


    Intrinsic semimetallicity of graphene and silicene largely limits their applications in functional devices. Mixing carbon and silicon atoms to form two-dimensional (2D) silicon carbide (SixC1-x) sheets is promising to overcome this issue. Using first-principles calculations combined with the cluster expansion method, we perform a comprehensive study on the thermodynamic stability and electronic properties of 2D SixC1-x monolayers with 0 ≤ x ≤ 1. Upon varying the silicon concentration, the 2D SixC1-x presents two distinct structural phases, a homogeneous phase with well dispersed Si (or C) atoms and an in-plane hybrid phase rich in SiC domains. While the in-plane hybrid structure shows uniform semiconducting properties with widely tunable band gap from 0 to 2.87 eV due to quantum confinement effect imposed by the SiC domains, the homogeneous structures can be semiconducting or remain semimetallic depending on a superlattice vector which dictates whether the sublattice symmetry is topologically broken. Moreover, we reveal a universal rule for describing the electronic properties of the homogeneous SixC1-x structures. These findings suggest that the 2D SixC1-x monolayers may present a new "family" of 2D materials, with a rich variety of properties for applications in electronics and optoelectronics.

  10. Preparation and characterization of carbon pillared clay material

    Institute of Scientific and Technical Information of China (English)


    Carbon pillared clay material was prepared from montmorillonite modified by C19H42BrN and C10H16ClN. SEM, FT-IR, XRD, N2 adsorption-desorption, thermal-gravimetric analysis and differential scanning calorimetry were employed to characterize the pore structure and test the effect of surfactant. The results show that organic modifier combines with montmorillonite particles by covalent bond and ion embedded. The microstructure of carbon pillared material looks like needle slice. The most probable pore size distribution is about 1.7 nm. The clay material slice mainly consists of two-dimensional aperture supported by a carbonization pillar. The high-temperature stability of carbon pillared clay is im- proved.

  11. Preparation and characterization of carbon pillared clay material

    Institute of Scientific and Technical Information of China (English)

    ZHANG ZengZhi; YANG ChunWei; NIU JunJie


    Carbon pillared clay material was prepared from montmorillonite modified by C19H42BrN and C10H16CIN.SEM, FT-IR, XRD, N2 adsorption-desorption, thermal-gravimetric analysis and differential scanning calorimetry were employed to characterize the pore structure and test the effect of surfactant. The re-sults show that organic modifier combines with montmorillonite particles by covalent bond and ion embedded. The microstructure of carbon pillared material looks like needle slice. The most probable pore size distribution is about 1.7 nm, The clay material slice mainly consists of two-dimensional ap-erture supported by a carbonization pillar. The high-temperature stability of carbon pillared clay is im-proved.

  12. Enhancement of band-to-band tunneling in mono-layer transition metal dichalcogenides two-dimensional materials by vacancy defects

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Xiang-Wei; Li, Shu-Shen [State Key Laboratory of Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083 (China); Gong, Jian [School of Physics Science and Technology, Inner Mongolia University, Hohhot 010021 (China); Xu, Nuo [Department of Electrical Engineering and Computer Sciences, University of California, Berkeley, California 94720 (United States); Zhang, Jinfeng; Hao, Yue [Key Laboratory of Wide Band Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xi' an 710071 (China); Wang, Lin-Wang, E-mail: [Material Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)


    The band-to-band tunneling of monolayer transition metal dichalcogenides nano-junction is investigated using atomistic ab initio quantum transport simulations. From the simulation, it is found that the transition metal vacancy defect in the two-dimensional MX{sub 2} (M = Mo,W; X = S,Se) band-to-band tunneling diode can dramatically boost the on-state current up to 10 times while maintaining the device sub-threshold swing. The performance enhancement mechanism is discussed in detail by examining partial density of states of the system. It is found that the transition metal vacancy induces band-gap states, which reduce the effective length of the tunneling transition region.

  13. Research on the Application of Two Dimensional Code Technology in the Settlement of Electric Power Materials%二维码技术在电力物资结算中的应用研究

    Institute of Scientific and Technical Information of China (English)

    刘金元; 陆野; 汪天睿


    This paper expounds the present situation of the two -dimensional code technology of power supplies in settlement,then explore the specific application of two-dimensional code technology in the related business process,finally the two-dimensional code technology in the material balance the next step in the direction of the application,to further improve the electric power material has an important guiding significance to the settlement system.%文中首先阐述了电力物资结算中二维码技术应用的现状,其次探索了二维码技术在相关业务流程中的具体应用,最后提出了二维码技术在物资结算中的下一步应用方向,对进一步完善电力物资结算体系具有重要的指导意义。

  14. Two-dimensional liquid chromatography

    DEFF Research Database (Denmark)

    Græsbøll, Rune

    of this thesis is on online comprehensive two-dimensional liquid chromatography (online LC×LC) with reverse phase in both dimensions (online RP×RP). Since online RP×RP has not been attempted before within this research group, a significant part of this thesis consists of knowledge and experience gained...

  15. Material Flows and Carbon Cycles (United States)

    Worrell, E.


    The industrial sector emits almost 43 percent of the global anthropogenic carbon dioxide emissions to produce materials and products. Furthermore, energy is used to move materials and products and process the waste. Hence, a large amount of energy is consumed and CO2 is emitted to sustain our materials system. Until recently, studies investigating mitigation options focused on changes in the energy system. For industrial processes most studies evaluate how the current materials system can be maintained producing fewer greenhouse gas emissions. Three elements of a strategy to improve the long-term materials productivity are the reduction of dissipative uses of non-biodegradable materials, secondly, the re-design of products to use less material or design for re-use or recycling, and thirdly, develop more efficient technologies for material conversion and recycling. This will reduce or eliminate the need to extract virgin materials from the environment, and reduce CO2 emissions from the energy-intensive production processes. To assess measures to reduce materials consumption, fossil fuels consumption and CO2 emissions, detailed understanding of the material system is needed. The lifecycle of materials has to be investigated including all branches of industry with all the inputs and outputs. We start with a discussion of materials and the carbon cycle focusing on the contribution of materials to anthropogenic carbon flows. We discuss CO2 emissions from energy use in materials extraction and production, fossil (e.g. plastics) and biomass carbon (e.g. lumber, paper) used as feedstock of materials, and mineral sources (e.g. cement). We discuss opportunities to reduce CO2 emissions by improving the efficiency with which society uses materials through product design, material substitution, product reuse and material recycling.

  16. A two-dimensional Dirac fermion microscope (United States)

    Bøggild, Peter; Caridad, José M.; Stampfer, Christoph; Calogero, Gaetano; Papior, Nick Rübner; Brandbyge, Mads


    The electron microscope has been a powerful, highly versatile workhorse in the fields of material and surface science, micro and nanotechnology, biology and geology, for nearly 80 years. The advent of two-dimensional materials opens new possibilities for realizing an analogy to electron microscopy in the solid state. Here we provide a perspective view on how a two-dimensional (2D) Dirac fermion-based microscope can be realistically implemented and operated, using graphene as a vacuum chamber for ballistic electrons. We use semiclassical simulations to propose concrete architectures and design rules of 2D electron guns, deflectors, tunable lenses and various detectors. The simulations show how simple objects can be imaged with well-controlled and collimated in-plane beams consisting of relativistic charge carriers. Finally, we discuss the potential of such microscopes for investigating edges, terminations and defects, as well as interfaces, including external nanoscale structures such as adsorbed molecules, nanoparticles or quantum dots.

  17. A two-dimensional Dirac fermion microscope. (United States)

    Bøggild, Peter; Caridad, José M; Stampfer, Christoph; Calogero, Gaetano; Papior, Nick Rübner; Brandbyge, Mads


    The electron microscope has been a powerful, highly versatile workhorse in the fields of material and surface science, micro and nanotechnology, biology and geology, for nearly 80 years. The advent of two-dimensional materials opens new possibilities for realizing an analogy to electron microscopy in the solid state. Here we provide a perspective view on how a two-dimensional (2D) Dirac fermion-based microscope can be realistically implemented and operated, using graphene as a vacuum chamber for ballistic electrons. We use semiclassical simulations to propose concrete architectures and design rules of 2D electron guns, deflectors, tunable lenses and various detectors. The simulations show how simple objects can be imaged with well-controlled and collimated in-plane beams consisting of relativistic charge carriers. Finally, we discuss the potential of such microscopes for investigating edges, terminations and defects, as well as interfaces, including external nanoscale structures such as adsorbed molecules, nanoparticles or quantum dots.

  18. Reconstruction of central carbon metabolism in Sulfolobus solfataricus using a two-dimensional gel electrophoresis map, stable isotope labelling and DNA microarray analysis

    NARCIS (Netherlands)

    Snijders, B.P.L.; Walther, J.; Peter, S.; Kinnman, I.; Vos, de M.J.G.; Werken, van de H.J.G.; Brouns, S.J.J.; Oost, van der J.; Wright, P.C.


    In the last decade, an increasing number of sequenced archaeal genomes have become available, opening up the possibility for functional genomic analyses. Here, we reconstructed the central carbon metabolism in the hyperthermophilic crenarchaeon Sulfolobus solfataricus (glycolysis, gluconeogenesis an

  19. Reconstruction of central carbon metabolism in Sulfolobus solfataricus using a two-dimensional gel electrophoresis map, stable isotope labelling and DNA microarray analysis

    NARCIS (Netherlands)

    Snijders, B.P.L.; Walther, J.; Peter, S.; Kinnman, I.; Vos, de M.J.G.; Werken, van de H.J.G.; Brouns, S.J.J.; Oost, van der J.; Wright, P.C.


    In the last decade, an increasing number of sequenced archaeal genomes have become available, opening up the possibility for functional genomic analyses. Here, we reconstructed the central carbon metabolism in the hyperthermophilic crenarchaeon Sulfolobus solfataricus (glycolysis, gluconeogenesis

  20. Direct Analysis of Free and Sulfite-Bound Carbonyl Compounds in Wine by Two-Dimensional Quantitative Proton and Carbon Nuclear Magnetic Resonance Spectroscopy. (United States)

    Nikolantonaki, Maria; Magiatis, Prokopios; Waterhouse, Andrew L


    Recent developments that have accelerated 2D NMR methods and improved quantitation have made these methods accessible analytical procedures, and the large signal dispersion allows for the analysis of complex samples. Few natural samples are as complex as wine, so the application to challenges in wine analysis look promising. The analysis of carbonyl compounds in wine, key oxidation products, is complicated by a multitude of kinetically reversible adducts, such as acetals and sulfonates, so that sample preparation steps can generate complex interferences. These challenges could be overcome if the compounds could be quantified in situ. Here, two-dimensional ((1)H-(1)H) homonuclear and heteronuclear ((13)C-(1)H) single quantum correlations (correlation spectroscopy, COSY, and heteronuclear single quantum coherence, HSQC) nuclear magnetic resonance spectra of undiluted wine samples were observed at natural abundance. These techniques achieve simultaneous direct identification and quantitation of acetaldehyde, pyruvic acid, acetoin, methylglyoxal, and α-ketoglutaric acid in wine with only a small addition of D2O. It was also possible to observe and sometimes quantify the sulfite, hydrate, and acetal forms of the carbonyl compounds. The accuracy of the method was tested in wine samples by spiking with a mixture of all analytes at different concentrations. The method was applied to 15 wine samples of various vintages and grape varieties. The application of this method could provide a powerful tool to better understand the development, evolution, and perception of wine oxidation and insight into the impact of these sulfite bound carbonyls on antimicrobial and antioxidant action by SO2.

  1. Additives for immobilized pH gradient two-dimensional separation of particulate material: comparison between commercial and new synthetic detergents. (United States)

    Gianazza, E; Rabilloud, T; Quaglia, L; Caccia, P; Astrua-Testori, S; Osio, L; Grazioli, G; Righetti, P G


    We describe the synthesis of two detergents, L and A15, whose performances as solubilizing agents and as additives in the first-dimension step of a two-dimensional separation are compared with those of some commercial compounds, i.e., Nonidet P-40, 3-[(3-cholamidopropyl)dimethylammonio]propanesulfonate(Chaps), and sulfobetaine, on three membrane protein preparations: rat RBC ghosts, beef kidney microvilli, and spinach thylakoids. L is 3-]3-dodecylamidoprophylcbdimethylammonio propane-1-sulfonate; owing to the substitution of a dodecylamido for the dodecyl residue of SB 3-12, the concentration of urea compatible with 2% detergent increases from 4.5 M for the parent molecule up to 7 M. With all three biological samples on which the panel of different detergents has been tested in parallel, L + urea scores as the most effective solubilization medium. On red blood cells a notable qualitative difference is observed with the selective extraction by L as well as by N-dodecyl-N,N-dimethylammonio-3-propanesulfonate of a major protein (pI = ca. 5.5, Mr = ca. 100,000). A15 is derived from a tertiary amine, with one alkylic substituent (either C11 or C13) and two poly(ethylene oxide) tails (totaling 15 ethoxy residues), which is reacted with propane sultone. Approximately 30% of the product corresponds to the N-adduct and is a truly zwitterionic detergent, while 60% is an O-derivative and still contains a titratable amino group (with a pK of 7.2). A15 can thus be used for isoelectric focusing on immobilized pH gradients, as in this work, but would not be compatible with carrier ampholyte isoelectric focusing.(ABSTRACT TRUNCATED AT 250 WORDS)

  2. Two dimensional unstable scar statistics.

    Energy Technology Data Exchange (ETDEWEB)

    Warne, Larry Kevin; Jorgenson, Roy Eberhardt; Kotulski, Joseph Daniel; Lee, Kelvin S. H. (ITT Industries/AES Los Angeles, CA)


    This report examines the localization of time harmonic high frequency modal fields in two dimensional cavities along periodic paths between opposing sides of the cavity. The cases where these orbits lead to unstable localized modes are known as scars. This paper examines the enhancements for these unstable orbits when the opposing mirrors are both convex and concave. In the latter case the construction includes the treatment of interior foci.

  3. Two-Dimensional Vernier Scale (United States)

    Juday, Richard D.


    Modified vernier scale gives accurate two-dimensional coordinates from maps, drawings, or cathode-ray-tube displays. Movable circular overlay rests on fixed rectangular-grid overlay. Pitch of circles nine-tenths that of grid and, for greatest accuracy, radii of circles large compared with pitch of grid. Scale enables user to interpolate between finest divisions of regularly spaced rule simply by observing which mark on auxiliary vernier rule aligns with mark on primary rule.

  4. Towards early detection of the hydrolytic degradation of poly(bisphenol A)carbonate by hyphenated liquid chromatography and comprehensive two-dimensional liquid chromatography

    NARCIS (Netherlands)

    Coulier, L.; Kaal, E.R.; Hankemeier, Th.


    The hydrolytic degradation of poly(bisphenol A)carbonate (PC) has been characterized by various liquid chromatography techniques. Size exclusion chromatography (SEC) showed a significant decrease in molecular mass as a result of hydrolytic degradation, while 'liquid chromatography at critical

  5. Towards early detection of the hydrolytic degradation of poly(bisphenol A)carbonate by hyphenated liquid chromatography and comprehensive two-dimensional liquid chromatography

    NARCIS (Netherlands)

    Coulier, L.; Kaal, E.R.; Hankemeier, Th.


    The hydrolytic degradation of poly(bisphenol A)carbonate (PC) has been characterized by various liquid chromatography techniques. Size exclusion chromatography (SEC) showed a significant decrease in molecular mass as a result of hydrolytic degradation, while 'liquid chromatography at critical condit

  6. Carbon materials for supercapacitors (United States)

    Gao, Yang

    As an important energy storage device, electrochemical supercapacitors or ultracapacitors fill the gap between conventional dielectric capacitors and batteries in terms of specific energy and power. Although supercapacitors have been used in electric vehicles, digital communication instruments, and pulsed lasers, further improvement of supercapacitor performance is highly needed to enhance the energy density without significantly losing the power density. Additionally, the conventional supercapacitors use rigid packages and liquid electrolytes, which limit applications in transparent and flexible electronics. To address these challenges, the research efforts in this dissertation mainly focused on: 1) improvement of the energy density of carbon nanoonions by chemical activation; 2) laser-assisted activation of carbon nanotubes for improved energy density; 3) fabrication of flexible solid-state supercapacitors based on nanocarbon and manganese dioxide (MnO2) hybrid electrodes; and 4) investigation of the electrochemical performance of graphene as transparent and flexible supercapacitor electrodes.

  7. Carbon Materials Research (United States)


    electrodes, high temperature molds, rocket nozzles and exit cones, tires , ink, nuclear reactors and fuel particles, filters, prosthetics, batteries and...carbon would be highly oriented pyrolytic graphite (HOPG), which is formed by depositing one atom at a time on a surface utilizing the pyrolysis of a...Moreover, it is well known that during pyrolysis , mesophase converts into a matrix that is very anisotropic. The formation of onion-like “sheaths

  8. First-principles study of two-dimensional van der Waals heterojunctions


    Hu, Wei; Yang, Jinlong


    Research on graphene and other two-dimensional (2D) materials, such as silicene, germanene, phosphorene, hexagonal boron nitride (h-BN), graphitic carbon nitride (g-C3N4), graphitic zinc oxide (g-ZnO) and molybdenum disulphide (MoS2), has recently received considerable interest owing to their outstanding properties and wide applications. Looking beyond this field, combining the electronic structures of 2D materials in ultrathin van der Waals heterojunctions has also emerged to widely study th...

  9. Materials for carbon dioxide separation

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Qingqing


    The CO{sub 2} adsorption capacities at room temperature have been investigated by comparing carbon nanotubes, fullerene, graphenes, graphite and granular activated carbons. It turned out that the amount of the micropore surface area was dominating the CO{sub 2} adsorption ability. Another promising class of materials for CO{sub 2} capture and separation are CaO derived from the eggshells. Two aspects were studied in present work: a new hybrid materials synthesized by doping the CaTiO{sub 3} and the relationship between physisorption and chemisorption properties of CaO-based materials.

  10. Application of Image Measurement and Continuum Mechanics to the Direct Measurement of Two-Dimensional Finite Strain in a Complex Fibro-Porous Material (United States)

    Britton, Paul; Loughran, Jeff

    This paper outlines a computational procedure that has been implemented for the direct measurement of finite material strains from digital images taken of a material surface during plane-strain process experiments. The selection of both hardware and software components of the image processing system is presented, and the numerical procedures developed for measuring the 2D material deformations are described. The algorithms are presented with respect to two-roll milling of sugar cane bagasse, a complex fibro-porous material that undergoes large strains during processing to extract the sucrose-rich liquid. Elaborations are made in regard to numerical developments for other forms of experimentation, algorithm calibrations and measurement improvements. Finite 2D strain results are shown for both confined uniaxial compression and two-roll milling experiments.

  11. Two-dimensional liquid chromatography

    DEFF Research Database (Denmark)

    Græsbøll, Rune

    Two-dimensional liquid chromatography has received increasing interest due to the rise in demand for analysis of complex chemical mixtures. Separation of complex mixtures is hard to achieve as a simple consequence of the sheer number of analytes, as these samples might contain hundreds or even...... dimensions. As a consequence of the conclusions made within this thesis, the research group has, for the time being, decided against further development of online LC×LC systems, since it was not deemed ideal for the intended application, the analysis of the polar fraction of oil. Trap-and...

  12. Natural materials for carbon capture.

    Energy Technology Data Exchange (ETDEWEB)

    Myshakin, Evgeniy M. (National Energy Technology Laboratory, Pittsburgh, PA); Romanov, Vyacheslav N. (National Energy Technology Laboratory, Pittsburgh, PA); Cygan, Randall Timothy


    Naturally occurring clay minerals provide a distinctive material for carbon capture and carbon dioxide sequestration. Swelling clay minerals, such as the smectite variety, possess an aluminosilicate structure that is controlled by low-charge layers that readily expand to accommodate water molecules and, potentially, carbon dioxide. Recent experimental studies have demonstrated the efficacy of intercalating carbon dioxide in the interlayer of layered clays but little is known about the molecular mechanisms of the process and the extent of carbon capture as a function of clay charge and structure. A series of molecular dynamics simulations and vibrational analyses have been completed to assess the molecular interactions associated with incorporation of CO2 in the interlayer of montmorillonite clay and to help validate the models with experimental observation.

  13. Plastic analysis of the crack problem in two-dimensional decagonal Al-Ni-Co quasicrystalline materials of point group 10,(10)

    Institute of Scientific and Technical Information of China (English)

    Li Wu; Fan Tian You


    The fundamental plastic nature of the quasicrystalline materials remains an open problem due to its essential complicacy. By developing the proposed generalized cohesive force model, the plastic deformation of crack in point group 10,10 decagonal quasicrystals is analysed strictly and systematically. The crack tip opening displacement (CTOD) and the size of the plastic zone around the crack tip are determined exactly. The quantity of the crack tip opening displacement can be used as a parameter of nonlinear fracture mechanics of quasicrystalline material. In addition, the present work may provide a way for the plastic analysis of quasicrystals.

  14. Two-dimensional capillary origami

    Energy Technology Data Exchange (ETDEWEB)

    Brubaker, N.D., E-mail:; Lega, J., E-mail:


    We describe a global approach to the problem of capillary origami that captures all unfolded equilibrium configurations in the two-dimensional setting where the drop is not required to fully wet the flexible plate. We provide bifurcation diagrams showing the level of encapsulation of each equilibrium configuration as a function of the volume of liquid that it contains, as well as plots representing the energy of each equilibrium branch. These diagrams indicate at what volume level the liquid drop ceases to be attached to the endpoints of the plate, which depends on the value of the contact angle. As in the case of pinned contact points, three different parameter regimes are identified, one of which predicts instantaneous encapsulation for small initial volumes of liquid. - Highlights: • Full solution set of the two-dimensional capillary origami problem. • Fluid does not necessarily wet the entire plate. • Global energy approach provides exact differential equations satisfied by minimizers. • Bifurcation diagrams highlight three different regimes. • Conditions for spontaneous encapsulation are identified.

  15. Comparison of one-dimensional and two-dimensional functionally graded materials for the backing shell of the cemented acetabular cup. (United States)

    Hedia, H S


    Among the factors that have been suggested as contributing to the failure of a total joint replacement are stress shielding and the subsequent bone resorption. Recent studies have shown that when a backing shell made from a Ti alloy is used, high stresses are generated in the cement at the edges of the cup, and low stresses are generated at the dome of the bone in the acetabulum; thus, the bone at the dome suffers stress shielding and the cement edge suffers high stresses. The aim of this study was to investigate the effect of using a functionally graded material (FGM), instead of Ti alloy, for the backing shell (BS) on the stress distribution in the BS-cement-bone system. Finite-element and optimization techniques were used to obtain the optimal distribution of materials in the tangential direction only of the backing (1D FGM) as well as in the tangential and radial directions of the backing (2D FGM). It was found that the stress distribution in the BS-cement-bone system was about the same, regardless of whether the BS was fabricated from a 1D or 2D FGM. The stress-shielding factor in the bone at the dome of the acetabulum and the maximum von Mises stress in cement at the cement interfaces for 1D and 2D FGM were reduced by about 51%, 69%, and 50%, respectively, compared to the case when the shell was fabricated from a Ti alloy. The optimal elastic modulus of the 1D FGM was obtained with the materials graded from HA at the dome of the acetabulum to a Ti alloy at the rim of the shell. The optimal elastic modulus of the 2D FGM was obtained with the materials graded from Ti alloy at the right edge of the rim, to Bioglass 45S5 at the left edge of the rim, and to HA at the dome of the shell.

  16. A study of two-dimensional magnetic polaron

    Institute of Scientific and Technical Information of China (English)

    LIU; Tao; ZHANG; Huaihong; FENG; Mang; WANG; Kelin


    By using the variational method and anneal simulation, we study in this paper the self-trapped magnetic polaron (STMP) in two-dimensional anti-ferromagnetic material and the bound magnetic polaron (BMP) in ferromagnetic material. Schwinger angular momentum theory is applied to changing the problem into a coupling problem of carriers and two types of Bosons. Our calculation shows that there are single-peak and multi-peak structures in the two-dimensional STMP. For the ferromagnetic material, the properties of the two-dimensional BMP are almost the same as that in one-dimensional case; but for the anti-ferromagnetic material, the two-dimensional STMP structure is much richer than the one-dimensional case.

  17. Two-dimensional photonic crystal surfactant detection. (United States)

    Zhang, Jian-Tao; Smith, Natasha; Asher, Sanford A


    We developed a novel two-dimensional (2-D) crystalline colloidal array photonic crystal sensing material for the visual detection of amphiphilic molecules in water. A close-packed polystyrene 2-D array monolayer was embedded in a poly(N-isopropylacrylamide) (PNIPAAm)-based hydrogel film. These 2-D photonic crystals placed on a mirror show intense diffraction that enables them to be used for visual determination of analytes. Binding of surfactant molecules attaches ions to the sensor that swells the PNIPAAm-based hydrogel. The resulting increase in particle spacing red shifts the 2-D diffracted light. Incorporation of more hydrophobic monomers increases the sensitivity to surfactants.

  18. Mobility anisotropy of two-dimensional semiconductors

    CERN Document Server

    Lang, Haifeng; Liu, Zhirong


    The carrier mobility of anisotropic two-dimensional (2D) semiconductors under longitudinal acoustic (LA) phonon scattering was theoretically studied with the deformation potential theory. Based on Boltzmann equation with relaxation time approximation, an analytic formula of intrinsic anisotropic mobility was deduced, which shows that the influence of effective mass to the mobility anisotropy is larger than that of deformation potential constant and elastic modulus. Parameters were collected for various anisotropic 2D materials (black phosphorus, Hittorf's phosphorus, BC$_2$N, MXene, TiS$_3$, GeCH$_3$) to calculate their mobility anisotropy. It was revealed that the anisotropic ratio was overestimated in the past.

  19. Two-dimensional heterostructures for energy storage (United States)

    Pomerantseva, Ekaterina; Gogotsi, Yury


    Two-dimensional (2D) materials provide slit-shaped ion diffusion channels that enable fast movement of lithium and other ions. However, electronic conductivity, the number of intercalation sites, and stability during extended cycling are also crucial for building high-performance energy storage devices. While individual 2D materials, such as graphene, show some of the required properties, none of them can offer all properties needed to maximize energy density, power density, and cycle life. Here we argue that stacking different 2D materials into heterostructured architectures opens an opportunity to construct electrodes that would combine the advantages of the individual building blocks while eliminating the associated shortcomings. We discuss characteristics of common 2D materials and provide examples of 2D heterostructured electrodes that showed new phenomena leading to superior electrochemical performance. We also consider electrode fabrication approaches and finally outline future steps to create 2D heterostructured electrodes that could greatly expand current energy storage technologies.

  20. Two-dimensional quantum repeaters (United States)

    Wallnöfer, J.; Zwerger, M.; Muschik, C.; Sangouard, N.; Dür, W.


    The endeavor to develop quantum networks gave rise to a rapidly developing field with far-reaching applications such as secure communication and the realization of distributed computing tasks. This ultimately calls for the creation of flexible multiuser structures that allow for quantum communication between arbitrary pairs of parties in the network and facilitate also multiuser applications. To address this challenge, we propose a two-dimensional quantum repeater architecture to establish long-distance entanglement shared between multiple communication partners in the presence of channel noise and imperfect local control operations. The scheme is based on the creation of self-similar multiqubit entanglement structures at growing scale, where variants of entanglement swapping and multiparty entanglement purification are combined to create high-fidelity entangled states. We show how such networks can be implemented using trapped ions in cavities.

  1. Two-dimensional capillary origami (United States)

    Brubaker, N. D.; Lega, J.


    We describe a global approach to the problem of capillary origami that captures all unfolded equilibrium configurations in the two-dimensional setting where the drop is not required to fully wet the flexible plate. We provide bifurcation diagrams showing the level of encapsulation of each equilibrium configuration as a function of the volume of liquid that it contains, as well as plots representing the energy of each equilibrium branch. These diagrams indicate at what volume level the liquid drop ceases to be attached to the endpoints of the plate, which depends on the value of the contact angle. As in the case of pinned contact points, three different parameter regimes are identified, one of which predicts instantaneous encapsulation for small initial volumes of liquid.

  2. Two-dimensional cubic convolution. (United States)

    Reichenbach, Stephen E; Geng, Frank


    The paper develops two-dimensional (2D), nonseparable, piecewise cubic convolution (PCC) for image interpolation. Traditionally, PCC has been implemented based on a one-dimensional (1D) derivation with a separable generalization to two dimensions. However, typical scenes and imaging systems are not separable, so the traditional approach is suboptimal. We develop a closed-form derivation for a two-parameter, 2D PCC kernel with support [-2,2] x [-2,2] that is constrained for continuity, smoothness, symmetry, and flat-field response. Our analyses, using several image models, including Markov random fields, demonstrate that the 2D PCC yields small improvements in interpolation fidelity over the traditional, separable approach. The constraints on the derivation can be relaxed to provide greater flexibility and performance.

  3. Origin of the enhancement in transport properties on polycrystalline SnSe with compositing two-dimensional material MoSe2 (United States)

    Huang, Xue-Qin; Chen, Yue-Xing; Yin, Meijie; Feng, Dan; He, Jiaqing


    P-type SnSe compositing with 2D MoSe2 materials have been prepared by the solid solution method followed by the spark plasma sintering technique. The total thermal conductivities of SnSe/MoSe2 composites were found to be higher than for pristineSnSe at room temperature; and the disparity between them becomes smaller at higher temperatures, where the low thermal conductivities remained. Both the carrier concentration and the carrier mobility were significantly improved after MoSe2 was introduced into the SnSe matrix along the direction perpendicular to the pressing direction, leading to an extraordinary enhancement in electrical transport performance. The maximum ZT of 0.5 was obtained at 773 K for SnSe + 1.5%MoSe2 along the direction perpendicular to the pressing direction; this value is 1.5 times as large as that of the pristine SnSe.

  4. Two-dimensional shape memory graphene oxide (United States)

    Chang, Zhenyue; Deng, Junkai; Chandrakumara, Ganaka G.; Yan, Wenyi; Liu, Jefferson Zhe


    Driven by the increasing demand for micro-/nano-technologies, stimuli-responsive shape memory materials at nanoscale have recently attracted great research interests. However, by reducing the size of conventional shape memory materials down to approximately nanometre range, the shape memory effect diminishes. Here, using density functional theory calculations, we report the discovery of a shape memory effect in a two-dimensional atomically thin graphene oxide crystal with ordered epoxy groups, namely C8O. A maximum recoverable strain of 14.5% is achieved as a result of reversible phase transition between two intrinsically stable phases. Our calculations conclude co-existence of the two stable phases in a coherent crystal lattice, giving rise to the possibility of constructing multiple temporary shapes in a single material, thus, enabling highly desirable programmability. With an atomic thickness, excellent shape memory mechanical properties and electric field stimulus, the discovery of a two-dimensional shape memory graphene oxide opens a path for the development of exceptional micro-/nano-electromechanical devices.

  5. Carbon material for hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Bourlinos, Athanasios; Steriotis, Theodore; Stubos, Athanasios; Miller, Michael A


    The present invention relates to carbon based materials that are employed for hydrogen storage applications. The material may be described as the pyrolysis product of a molecular precursor such as a cyclic quinone compound. The pyrolysis product may then be combined with selected transition metal atoms which may be in nanoparticulate form, where the metals may be dispersed on the material surface. Such product may then provide for the reversible storage of hydrogen. The metallic nanoparticles may also be combined with a second metal as an alloy to further improve hydrogen storage performance.

  6. Classifying Two-dimensional Hyporeductive Triple Algebras

    CERN Document Server

    Issa, A Nourou


    Two-dimensional real hyporeductive triple algebras (h.t.a.) are investigated. A classification of such algebras is presented. As a consequence, a classification of two-dimensional real Lie triple algebras (i.e. generalized Lie triple systems) and two-dimensional real Bol algebras is given.

  7. Sustainable carbon materials from hydrothermal processes

    CERN Document Server

    Titirici, Maria-Magdalena


    The production of low cost and environmentally friendly high performing carbon materials is crucial for a sustainable future. Sustainable Carbon Materials from Hydrothermal Processes describes a sustainable and alternative technique to produce carbon from biomass in water at low temperatures, a process known as Hydrothermal Carbonization (HTC). Sustainable Carbon Materials from Hydrothermal Processes presents an overview of this new and rapidly developing field, discussing various synthetic approaches, characterization of the final products, and modern fields of application fo

  8. Two-dimensional function photonic crystals

    CERN Document Server

    Wu, Xiang-Yao; Liu, Xiao-Jing; Liang, Yu


    In this paper, we have firstly proposed two-dimensional function photonic crystals, which the dielectric constants of medium columns are the functions of space coordinates $\\vec{r}$, it is different from the two-dimensional conventional photonic crystals constituting by the medium columns of dielectric constants are constants. We find the band gaps of two-dimensional function photonic crystals are different from the two-dimensional conventional photonic crystals, and when the functions form of dielectric constants are different, the band gaps structure should be changed, which can be designed into the appropriate band gaps structures by the two-dimensional function photonic crystals.

  9. Application Research of Special High Pressure Material Performance Tracking Based on Two Dimensional Code Technology%基于二维码技术的特高压物资履约跟踪应用研究

    Institute of Scientific and Technical Information of China (English)

    韩飞; 薛劭节; 宋纪恩


    With the in-depth work related to the construction of UHV,UHV materials by categories and specifications of various types,affecting performance supervision difficult constraints,Jiangsu province electric power company supplies the in-creasing pressure of uhv.This paper mainly by citing the concept of modern logistics management,in-depth study of the two-dimensional code technology,the use of two-dimensional code technology innovation of the effective management of UHV electric power supplies,explore the “standard”management mode,clear UHV supplies customized performance tracking process and scheme,supplemented by the development of the material performance visual tracking system,the material will be two-dimen-sional code the basic information and dynamic information display in the system,the formation of visual effect,realize the tracking of material supply,enhance UHV supply management level.%随着深入开展特高压建设相关工作以来,受特高压物资品类、规格型号繁多,履约监管难度大等制约因素影响,江苏省电力公司特高压物资供应压力日益增大。文中主要通过引用现代物流管理理念,深入研究二维码技术,创新性的运用二维码技术对电力特高压物资进行有效管理,探索“标准件”管理模式,明确特高压物资客户化履约跟踪流程及方案,同时辅以开发物资可视化履约跟踪系统,将物资二维码基础信息和动态信息展示在系统内,形成可视化效果,实现对物资供应的全程跟踪,全面提升特高压物资供应管理水平。

  10. A two-dimensional polymer prepared by organic synthesis. (United States)

    Kissel, Patrick; Erni, Rolf; Schweizer, W Bernd; Rossell, Marta D; King, Benjamin T; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji


    Synthetic polymers are widely used materials, as attested by a production of more than 200 millions of tons per year, and are typically composed of linear repeat units. They may also be branched or irregularly crosslinked. Here, we introduce a two-dimensional polymer with internal periodicity composed of areal repeat units. This is an extension of Staudinger's polymerization concept (to form macromolecules by covalently linking repeat units together), but in two dimensions. A well-known example of such a two-dimensional polymer is graphene, but its thermolytic synthesis precludes molecular design on demand. Here, we have rationally synthesized an ordered, non-equilibrium two-dimensional polymer far beyond molecular dimensions. The procedure includes the crystallization of a specifically designed photoreactive monomer into a layered structure, a photo-polymerization step within the crystal and a solvent-induced delamination step that isolates individual two-dimensional polymers as free-standing, monolayered molecular sheets.

  11. Two-dimensional flexible nanoelectronics

    National Research Council Canada - National Science Library

    Akinwande, Deji; Petrone, Nicholas; Hone, James


    .... With the discovery of hexagonal boron nitride as an ideal dielectric, the materials are now in place to advance integrated flexible nanoelectronics, which uniquely take advantage of the unmatched...

  12. Qualitative characteristics and comparison of volatile fraction of vodkas made from different botanical materials by comprehensive two-dimensional gas chromatography and the electronic nose based on the technology of ultra-fast gas chromatography. (United States)

    Wiśniewska, Paulina; Śliwińska, Magdalena; Dymerski, Tomasz; Wardencki, Waldemar; Namieśnik, Jacek


    Vodka is a spirit-based beverage made from ethyl alcohol of agricultural origin. At present, increasingly more vodka brands have labels that specify the botanical origin of the product. Until now, the techniques for distinguishing between vodkas of different botanical origin have been costly, time-consuming and insufficient for making a distinction between vodka produced from similar raw materials. Therefore, it is of utmost importance to find a fast and relatively inexpensive technique for conducting such tests. In the present study, we employed comprehensive two-dimensional gas chromatography (GC×GC) and an electronic nose based on the technology of ultra-fast GC with chemometric methods such as partial least square discriminant analysis, discriminant function analysis and soft independent modeling of class analogy. Both techniques allow a distinction between the vodkas produced from different raw materials. In the case of GC×GC, the differences between vodkas were more noticeable than in the analysis by electronic nose; however, the electronic nose allowed the significantly faster analysis of vodkas. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

  13. Hadamard States and Two-dimensional Gravity

    CERN Document Server

    Salehi, H


    We have used a two-dimensional analog of the Hadamard state-condition to study the local constraints on the two-point function of a linear quantum field conformally coupled to a two-dimensional gravitational background. We develop a dynamical model in which the determination of the state of the quantum field is essentially related to the determination of a conformal frame. A particular conformal frame is then introduced in which a two-dimensional gravitational equation is established.

  14. Topological defects in two-dimensional crystals


    Chen, Yong; Qi, Wei-Kai


    By using topological current theory, we study the inner topological structure of the topological defects in two-dimensional (2D) crystal. We find that there are two elementary point defects topological current in two-dimensional crystal, one for dislocations and the other for disclinations. The topological quantization and evolution of topological defects in two-dimensional crystals are discussed. Finally, We compare our theory with Brownian-dynamics simulations in 2D Yukawa systems.

  15. Electronics and optoelectronics of two-dimensional transition metal dichalcogenides. (United States)

    Wang, Qing Hua; Kalantar-Zadeh, Kourosh; Kis, Andras; Coleman, Jonathan N; Strano, Michael S


    The remarkable properties of graphene have renewed interest in inorganic, two-dimensional materials with unique electronic and optical attributes. Transition metal dichalcogenides (TMDCs) are layered materials with strong in-plane bonding and weak out-of-plane interactions enabling exfoliation into two-dimensional layers of single unit cell thickness. Although TMDCs have been studied for decades, recent advances in nanoscale materials characterization and device fabrication have opened up new opportunities for two-dimensional layers of thin TMDCs in nanoelectronics and optoelectronics. TMDCs such as MoS(2), MoSe(2), WS(2) and WSe(2) have sizable bandgaps that change from indirect to direct in single layers, allowing applications such as transistors, photodetectors and electroluminescent devices. We review the historical development of TMDCs, methods for preparing atomically thin layers, their electronic and optical properties, and prospects for future advances in electronics and optoelectronics.

  16. A two-dimensional spin liquid in quantum kagome ice. (United States)

    Carrasquilla, Juan; Hao, Zhihao; Melko, Roger G


    Actively sought since the turn of the century, two-dimensional quantum spin liquids (QSLs) are exotic phases of matter where magnetic moments remain disordered even at zero temperature. Despite ongoing searches, QSLs remain elusive, due to a lack of concrete knowledge of the microscopic mechanisms that inhibit magnetic order in materials. Here we study a model for a broad class of frustrated magnetic rare-earth pyrochlore materials called quantum spin ices. When subject to an external magnetic field along the [111] crystallographic direction, the resulting interactions contain a mix of geometric frustration and quantum fluctuations in decoupled two-dimensional kagome planes. Using quantum Monte Carlo simulations, we identify a set of interactions sufficient to promote a groundstate with no magnetic long-range order, and a gap to excitations, consistent with a Z2 spin liquid phase. This suggests an experimental procedure to search for two-dimensional QSLs within a class of pyrochlore quantum spin ice materials.

  17. Topology optimization of two-dimensional elastic wave barriers

    DEFF Research Database (Denmark)

    Van Hoorickx, C.; Sigmund, Ole; Schevenels, M.


    Topology optimization is a method that optimally distributes material in a given design domain. In this paper, topology optimization is used to design two-dimensional wave barriers embedded in an elastic halfspace. First, harmonic vibration sources are considered, and stiffened material is insert...

  18. Two-dimensional TiO2-based nanosheets co-modified by surface-enriched carbon dots and Gd2O3 nanoparticles for efficient visible-light-driven photocatalysis (United States)

    Lu, Dingze; Fang, Pengfei; Ding, Junqian; Yang, Minchen; Cao, Yufei; Zhou, Yawei; Peng, Kui; Kondamareddy, Kiran Kumar; Liu, Min


    Two-dimensional TiO2-based nanosheets (TNSs) co-modified by surface-enriched carbon dots (CDs) and Gd2O3 nanoparticles: (Gd-C-TNSs), capable of exhibiting visible-light-driven photo catalysis were synthesized using a two-pot hydrothermal route. The samples had a sheet-like structure, thickness of approximately 3.6 nm, large specific surface area of 240-350 cm2/g. The CDs (2-3 nm) and Gd2O3 nanoparticles (1-2 nm) were highly dispersed over the surface of the nanosheets. The co-modification by Gd2O3 nanoparticles and CDs influenced the crystallinity, crystal structure, and surface area of the TNSs, and improved the visible-light absorption. Surface photocurrent and fluorescence spectral studies revealed that the photo-generated charge carrier separation efficiency could be improved by an appropriate amount of modification. A very high efficiency was obtained using 0.5 at% Gd/Ti and 3.0 g/L of CDs. The visible-light-induced photocatalytic activity is enhanced under the isolated Cr(VI) system, isolated Rhodamin B (RhB) system, and the synergism between RhB degradation and Cr(VI) reduction for the Gd-C-TNSs photocatalysts. Initially, the photocatalytic activity gradually increased with an increase in the amount of CDs, and then decreased after attaining a maximum, in the case where 0.5 at% Gd/Ti and 3.0 g/L of CDs were used. The enhancement in the photocatalytic activity was attributed to the synergetic effect of the Gd2O3 nanoparticles, TNSs, and CDs in the Gd-C-TNSs composites. The effect led to a fast separation and slow recombination of photo-induced electron-hole pairs. An alternate mechanism for enhanced visible-light photocatalytic activity was also considered.

  19. Strongly interacting two-dimensional Dirac fermions

    NARCIS (Netherlands)

    Lim, L.K.; Lazarides, A.; Hemmerich, Andreas; de Morais Smith, C.


    We show how strongly interacting two-dimensional Dirac fermions can be realized with ultracold atoms in a two-dimensional optical square lattice with an experimentally realistic, inherent gauge field, which breaks time reversal and inversion symmetries. We find remarkable phenomena in a temperature

  20. Topology optimization of two-dimensional waveguides

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard; Sigmund, Ole


    In this work we use the method of topology optimization to design two-dimensional waveguides with low transmission loss.......In this work we use the method of topology optimization to design two-dimensional waveguides with low transmission loss....

  1. Soluble, Exfoliated Two-Dimensional Nanosheets as Excellent Aqueous Lubricants. (United States)

    Zhang, Wenling; Cao, Yanlin; Tian, Pengyi; Guo, Fei; Tian, Yu; Zheng, Wen; Ji, Xuqiang; Liu, Jingquan


    Dispersion in water of two-dimensional (2D) nanosheets is conducive to their practical applications in fundamental science communities due to their abundance, low cost, and ecofriendliness. However, it is difficult to achieve stable aqueous 2D material suspensions because of the intrinsic hydrophobic properties of the layered materials. Here, we report an effective and economic way of producing various 2D nanosheets (h-BN, MoS2, MoSe2, WS2, and graphene) as aqueous dispersions using carbon quantum dots (CQDs) as exfoliation agents and stabilizers. The dispersion was prepared through a liquid phase exfoliation. The as-synthesized stable 2D nanosheets based dispersions were characterized by UV-vis, HRTEM, AFM, Raman, XPS, and XRD. The solutions based on CQD decorated 2D nanosheets were utilized as aqueous lubricants, which realized a friction coefficient as low as 0.02 and even achieved a superlubricity under certain working conditions. The excellent lubricating properties were attributed to the synergetic effects of the 2D nanosheets and CQDs, such as good dispersion stability and easy-sliding interlayer structure. This work thus proposes a novel strategy for the design and preparation of high-performance water based green lubricants.

  2. Two-dimensional topological photonic systems (United States)

    Sun, Xiao-Chen; He, Cheng; Liu, Xiao-Ping; Lu, Ming-Hui; Zhu, Shi-Ning; Chen, Yan-Feng


    The topological phase of matter, originally proposed and first demonstrated in fermionic electronic systems, has drawn considerable research attention in the past decades due to its robust transport of edge states and its potential with respect to future quantum information, communication, and computation. Recently, searching for such a unique material phase in bosonic systems has become a hot research topic worldwide. So far, many bosonic topological models and methods for realizing them have been discovered in photonic systems, acoustic systems, mechanical systems, etc. These discoveries have certainly yielded vast opportunities in designing material phases and related properties in the topological domain. In this review, we first focus on some of the representative photonic topological models and employ the underlying Dirac model to analyze the edge states and geometric phase. On the basis of these models, three common types of two-dimensional topological photonic systems are discussed: 1) photonic quantum Hall effect with broken time-reversal symmetry; 2) photonic topological insulator and the associated pseudo-time-reversal symmetry-protected mechanism; 3) time/space periodically modulated photonic Floquet topological insulator. Finally, we provide a summary and extension of this emerging field, including a brief introduction to the Weyl point in three-dimensional systems.

  3. Lignin-Derived Advanced Carbon Materials. (United States)

    Chatterjee, Sabornie; Saito, Tomonori


    Lignin is a highly abundant source of renewable carbon that can be considered as a valuable sustainable source of biobased materials. By applying specific pretreatments and manufacturing methods, lignin can be converted into a variety of value-added carbon materials. However, the physical and chemical heterogeneities of lignin complicate its use as a feedstock. Herein lignin manufacturing process, the effects of pretreatments and manufacturing methods on the properties of product lignin, and structure-property relationships in various applications of lignin-derived carbon materials, such as carbon fibers, carbon mats, activated carbons, carbon films, and templated carbon, are discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Gyroidal mesoporous carbon materials and methods thereof

    Energy Technology Data Exchange (ETDEWEB)

    Wiesner, Ulrich B.; Werner, Joerg G.


    The present invention relates to, inter alia, gyroidal mesoporous carbon materials and methods of use and manufacture thereof. In one embodiment, the present invention relates to a mesoporous carbon composition comprising a gyroidal mesoporous carbon having an ordered gyroidal structure and mesopores having a pore size of greater than 2 nanometers (nm) in diameter, and more particularly greater than 11 nm in diameter.

  5. Two-Dimensional Mesoscale-Ordered Conducting Polymers

    NARCIS (Netherlands)

    Liu, Shaohua; Zhang, Jian; Dong, Renhao; Gordiichuk, Pavlo; Zhang, Tao; Zhuang, Xiaodong; Mai, Yiyong; Liu, Feng; Herrmann, Andreas; Feng, Xinliang


    Despite the availability of numerous two-dimensional (2D) materials with structural ordering at the atomic or molecular level, direct construction of mesoscale-ordered superstructures within a 2D monolayer remains an enormous challenge. Here, we report the synergic manipulation of two types of assem

  6. Two-Dimensional Mesoscale-Ordered Conducting Polymers

    NARCIS (Netherlands)

    Liu, Shaohua; Zhang, Jian; Dong, Renhao; Gordiichuk, Pavlo; Zhang, Tao; Zhuang, Xiaodong; Mai, Yiyong; Liu, Feng; Herrmann, Andreas; Feng, Xinliang


    Despite the availability of numerous two-dimensional (2D) materials with structural ordering at the atomic or molecular level, direct construction of mesoscale-ordered superstructures within a 2D monolayer remains an enormous challenge. Here, we report the synergic manipulation of two types of

  7. Two-dimensional superconductors with atomic-scale thickness (United States)

    Uchihashi, Takashi


    Recent progress in two-dimensional superconductors with atomic-scale thickness is reviewed mainly from the experimental point of view. The superconducting systems treated here involve a variety of materials and forms: elemental metal ultrathin films and atomic layers on semiconductor surfaces; interfaces and superlattices of heterostructures made of cuprates, perovskite oxides, and rare-earth metal heavy-fermion compounds; interfaces of electric-double-layer transistors; graphene and atomic sheets of transition metal dichalcogenide; iron selenide and organic conductors on oxide and metal surfaces, respectively. Unique phenomena arising from the ultimate two dimensionality of the system and the physics behind them are discussed.

  8. Critical Behaviour of a Two-Dimensional Random Antiferromagnet

    DEFF Research Database (Denmark)

    Als-Nielsen, Jens Aage; Birgeneau, R. J.; Guggenheim, H. J.


    A neutron scattering study of the order parameter, correlation length and staggered susceptibility of the two-dimensional random antiferromagnet Rb2Mn0.5Ni0.5F4 is reported. The system is found to exhibit a well-defined phase transition with critical exponents identical to those of the isomorphou...... pure materials K2NiF4 and K2MnF4. Thus, in these systems, which have the asymptotic critical behaviour of the two-dimensional Ising model, randomness has no measurable effect on the phase-transition behaviour....

  9. Two Dimensional Plasmonic Cavities on Moire Surfaces (United States)

    Balci, Sinan; Kocabas, Askin; Karabiyik, Mustafa; Kocabas, Coskun; Aydinli, Atilla


    We investigate surface plasmon polariton (SPP) cavitiy modes on two dimensional Moire surfaces in the visible spectrum. Two dimensional hexagonal Moire surface can be recorded on a photoresist layer using Interference lithography (IL). Two sequential exposures at slightly different angles in IL generate one dimensional Moire surfaces. Further sequential exposure for the same sample at slightly different angles after turning the sample 60 degrees around its own axis generates two dimensional hexagonal Moire cavity. Spectroscopic reflection measurements have shown plasmonic band gaps and cavity states at all the azimuthal angles (omnidirectional cavity and band gap formation) investigated. The plasmonic band gap edge and the cavity states energies show six fold symmetry on the two dimensional Moire surface as measured in reflection measurements.

  10. Two-dimensional function photonic crystals (United States)

    Liu, Xiao-Jing; Liang, Yu; Ma, Ji; Zhang, Si-Qi; Li, Hong; Wu, Xiang-Yao; Wu, Yi-Heng


    In this paper, we have studied two-dimensional function photonic crystals, in which the dielectric constants of medium columns are the functions of space coordinates , that can become true easily by electro-optical effect and optical kerr effect. We calculated the band gap structures of TE and TM waves, and found the TE (TM) wave band gaps of function photonic crystals are wider (narrower) than the conventional photonic crystals. For the two-dimensional function photonic crystals, when the dielectric constant functions change, the band gaps numbers, width and position should be changed, and the band gap structures of two-dimensional function photonic crystals can be adjusted flexibly, the needed band gap structures can be designed by the two-dimensional function photonic crystals, and it can be of help to design optical devices.

  11. Two-Dimensional Planetary Surface Lander (United States)

    Hemmati, H.; Sengupta, A.; Castillo, J.; McElrath, T.; Roberts, T.; Willis, P.


    A systems engineering study was conducted to leverage a new two-dimensional (2D) lander concept with a low per unit cost to enable scientific study at multiple locations with a single entry system as the delivery vehicle.

  12. Spectral Radiative Properties of Two-Dimensional Rough Surfaces (United States)

    Xuan, Yimin; Han, Yuge; Zhou, Yue


    Spectral radiative properties of two-dimensional rough surfaces are important for both academic research and practical applications. Besides material properties, surface structures have impact on the spectral radiative properties of rough surfaces. Based on the finite difference time domain algorithm, this paper studies the spectral energy propagation process on a two-dimensional rough surface and analyzes the effect of different factors such as the surface structure, angle, and polarization state of the incident wave on the spectral radiative properties of the two-dimensional rough surface. To quantitatively investigate the spatial distribution of energy reflected from the rough surface, the concept of the bidirectional reflectance distribution function is introduced. Correlation analysis between the reflectance and different impact factors is conducted to evaluate the influence degree. Comparison between the theoretical and experimental data is given to elucidate the accuracy of the computational code. This study is beneficial to optimizing the surface structures of optoelectronic devices such as solar cells.

  13. Two-dimensional hexagonal semiconductors beyond graphene (United States)

    Nguyen, Bich Ha; Hieu Nguyen, Van


    The rapid and successful development of the research on graphene and graphene-based nanostructures has been substantially enlarged to include many other two-dimensional hexagonal semiconductors (THS): phosphorene, silicene, germanene, hexagonal boron nitride (h-BN) and transition metal dichalcogenides (TMDCs) such as MoS2, MoSe2, WS2, WSe2 as well as the van der Waals heterostructures of various THSs (including graphene). The present article is a review of recent works on THSs beyond graphene and van der Waals heterostructures composed of different pairs of all THSs. One among the priorities of new THSs compared to graphene is the presence of a non-vanishing energy bandgap which opened up the ability to fabricate a large number of electronic, optoelectronic and photonic devices on the basis of these new materials and their van der Waals heterostructures. Moreover, a significant progress in the research on TMDCs was the discovery of valley degree of freedom. The results of research on valley degree of freedom and the development of a new technology based on valley degree of freedom-valleytronics are also presented. Thus the scientific contents of the basic research and practical applications os THSs are very rich and extremely promising.

  14. Advanced carbon materials/olivine LiFePO4 composites cathode for lithium ion batteries (United States)

    Gong, Chunli; Xue, Zhigang; Wen, Sheng; Ye, Yunsheng; Xie, Xiaolin


    In the past two decades, LiFePO4 has undoubtly become a competitive candidate for the cathode material of the next-generation LIBs due to its abundant resources, low toxicity and excellent thermal stability, etc. However, the poor electronic conductivity as well as low lithium ion diffusion rate are the two major drawbacks for the commercial applications of LiFePO4 especially in the power energy field. The introduction of highly graphitized advanced carbon materials, which also possess high electronic conductivity, superior specific surface area and excellent structural stability, into LiFePO4 offers a better way to resolve the issue of limited rate performance caused by the two obstacles when compared with traditional carbon materials. In this review, we focus on advanced carbon materials such as one-dimensional (1D) carbon (carbon nanotubes and carbon fibers), two-dimensional (2D) carbon (graphene, graphene oxide and reduced graphene oxide) and three-dimensional (3D) carbon (carbon nanotubes array and 3D graphene skeleton), modified LiFePO4 for high power lithium ion batteries. The preparation strategies, structure, and electrochemical performance of advanced carbon/LiFePO4 composite are summarized and discussed in detail. The problems encountered in its application and the future development of this composite are also discussed.

  15. Hydrogen adsorption in new carbon materials

    Energy Technology Data Exchange (ETDEWEB)

    Zubizarreta, L.; Arenillas, A.; Rubiera, F.; Pis, J.J. [Instituto Nacional del Carbon, CSIC, Apartado 73, 33080 Oviedo (Spain)


    Hydrogen physi-sorption on porous carbon materials is one among the different technologies which could be used for hydrogen storage. In addition hydrogen spillover on a carbon supports can enhance the hydrogen adsorption capacities obtained by physi-sorption. In this study two different carbon supports were synthesised: carbon gels and carbon microspheres. Carbon microspheres were doped with Ni(NO{sub 3}){sub 2} to study the hydrogen spillover on carbon support. The texture of the materials was characterised by CO{sub 2} adsorption at 0 C and their hydrogen storage capacity was evaluated at -196 and 10 C with a Micromeritics Tristar 3000, and at room temperature with a high pressure gravimetric analyser. (authors)

  16. Ultrafast two dimensional infrared chemical exchange spectroscopy (United States)

    Fayer, Michael


    The method of ultrafast two dimensional infrared (2D IR) vibrational echo spectroscopy is described. Three ultrashort IR pulses tuned to the frequencies of the vibrational transitions of interest are directed into the sample. The interaction of these pulses with the molecular vibrational oscillators produces a polarization that gives rise to a fourth pulse, the vibrational echo. The vibrational echo pulse is combined with another pulse, the local oscillator, for heterodyne detection of the signal. For fixed time between the second and third pulses, the waiting time, the first pulse is scanned. Two Fourier transforms of the data yield a 2D IR spectrum. The waiting time is increased, and another spectrum is obtained. The change in the 2D IR spectra with increased waiting time provides information on the time evolution of the structure of the molecular system under observation. In a 2D IR chemical exchange experiment, two species A and B, are undergoing chemical exchange. A's are turning into B's, and B's are turning into A's, but the overall concentrations of the species are not changing. The kinetics of the chemical exchange on the ground electronic state under thermal equilibrium conditions can be obtained 2D IR spectroscopy. A vibration that has a different frequency for the two species is monitored. At very short time, there will be two peaks on the diagonal of the 2D IR spectrum, one for A and one for B. As the waiting time is increased, chemical exchange causes off-diagonal peaks to grow in. The time dependence of the growth of these off-diagonal peaks gives the chemical exchange rate. The method is applied to organic solute-solvent complex formation, orientational isomerization about a carbon-carbon single bond, migration of a hydrogen bond from one position on a molecule to another, protein structural substate interconversion, and water hydrogen bond switching between ions and water molecules. This work was supported by the Air Force Office of Scientific

  17. Interpolation by two-dimensional cubic convolution (United States)

    Shi, Jiazheng; Reichenbach, Stephen E.


    This paper presents results of image interpolation with an improved method for two-dimensional cubic convolution. Convolution with a piecewise cubic is one of the most popular methods for image reconstruction, but the traditional approach uses a separable two-dimensional convolution kernel that is based on a one-dimensional derivation. The traditional, separable method is sub-optimal for the usual case of non-separable images. The improved method in this paper implements the most general non-separable, two-dimensional, piecewise-cubic interpolator with constraints for symmetry, continuity, and smoothness. The improved method of two-dimensional cubic convolution has three parameters that can be tuned to yield maximal fidelity for specific scene ensembles characterized by autocorrelation or power-spectrum. This paper illustrates examples for several scene models (a circular disk of parametric size, a square pulse with parametric rotation, and a Markov random field with parametric spatial detail) and actual images -- presenting the optimal parameters and the resulting fidelity for each model. In these examples, improved two-dimensional cubic convolution is superior to several other popular small-kernel interpolation methods.


    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yougang; Xu, Yidong; Chen, Xuelei [Key Laboratory of Computational Astrophysics, National Astronomical Observatories, Chinese Academy of Sciences, Beijing, 100012 China (China); Park, Changbom [School of Physics, Korea Institute for Advanced Study, 85 Hoegiro, Dongdaemun-gu, Seoul 130-722 (Korea, Republic of); Kim, Juhan, E-mail:, E-mail: [Center for Advanced Computation, Korea Institute for Advanced Study, 85 Hoegiro, Dongdaemun-gu, Seoul 130-722 (Korea, Republic of)


    We study the two-dimensional topology of the 21-cm differential brightness temperature for two hydrodynamic radiative transfer simulations and two semi-numerical models. In each model, we calculate the two-dimensional genus curve for the early, middle, and late epochs of reionization. It is found that the genus curve depends strongly on the ionized fraction of hydrogen in each model. The genus curves are significantly different for different reionization scenarios even when the ionized faction is the same. We find that the two-dimensional topology analysis method is a useful tool to constrain the reionization models. Our method can be applied to the future observations such as those of the Square Kilometre Array.

  19. Two dimensional topology of cosmological reionization

    CERN Document Server

    Wang, Yougang; Xu, Yidong; Chen, Xuelei; Kim, Juhan


    We study the two-dimensional topology of the 21-cm differential brightness temperature for two hydrodynamic radiative transfer simulations and two semi-numerical models. In each model, we calculate the two dimensional genus curve for the early, middle and late epochs of reionization. It is found that the genus curve depends strongly on the ionized fraction of hydrogen in each model. The genus curves are significantly different for different reionization scenarios even when the ionized faction is the same. We find that the two-dimensional topology analysis method is a useful tool to constrain the reionization models. Our method can be applied to the future observations such as those of the Square Kilometer Array.

  20. Matching Two-dimensional Gel Electrophoresis' Spots

    DEFF Research Database (Denmark)

    Dos Anjos, António; AL-Tam, Faroq; Shahbazkia, Hamid Reza


    This paper describes an approach for matching Two-Dimensional Electrophoresis (2-DE) gels' spots, involving the use of image registration. The number of false positive matches produced by the proposed approach is small, when compared to academic and commercial state-of-the-art approaches. This ar......This paper describes an approach for matching Two-Dimensional Electrophoresis (2-DE) gels' spots, involving the use of image registration. The number of false positive matches produced by the proposed approach is small, when compared to academic and commercial state-of-the-art approaches...

  1. Towards two-dimensional search engines


    Ermann, Leonardo; Chepelianskii, Alexei D.; Shepelyansky, Dima L.


    We study the statistical properties of various directed networks using ranking of their nodes based on the dominant vectors of the Google matrix known as PageRank and CheiRank. On average PageRank orders nodes proportionally to a number of ingoing links, while CheiRank orders nodes proportionally to a number of outgoing links. In this way the ranking of nodes becomes two-dimensional that paves the way for development of two-dimensional search engines of new type. Statistical properties of inf...

  2. Hybrid two-dimensional electronic systems and other applications of sp-2 bonded light elements (United States)

    Kessler, Brian Maxwell

    The field-effect is a cornerstone of modern technology lying at the heart of transistors in consumer electronics. Experimentally, it allows one to continuously vary the carrier concentration in a material while studying its properties. The recent isolation of graphene, the first truly two-dimensional crystal, allows application of the field effect to a much wider range of physical situations. In the first part of the thesis, we investigate hybrid materials formed by coupling metals to the two-dimensional electron gas (2DEG) in graphene. We couple superconducting materials to the graphene sheet by cluster deposition. This material displays a superconducting phase whose properties are tuned by the carrier density via the field effect. The transition temperature is well-described by Berezinskii-Kosterlitz-Thouless vortex unbinding. The ground state properties show interesting effects due to the distribution of cluster spacings. Observations related to other hybrid electronic systems including ferromagnets and normal metals are presented. The second part of this thesis involves energy applications of light element materials. The mechanisms affecting coating of carbon nanotubes using atomic layer deposition is developed and applied to photovoltaic systems. The gas adsorption properties of activated boron nitride are investigated and the relative influence of surface area and hydrogen binding affinity is elaborated. The third part of this thesis explores electromechanical properties of suspended graphene membranes. We investigate buckling and strain in exfoliated graphene membranes as well as their deformation under an applied gate potential.

  3. High value carbon materials from PET recycling (United States)

    Parra, J. B.; Ania, C. O.; Arenillas, A.; Rubiera, F.; Pis, J. J.


    Poly(ethylene) terephthalate (PET), has become one of the major post-consumer plastic waste. In this work special attention was paid to minimising PET residues and to obtain a high value carbon material. Pyrolysis and subsequent activation of PET from post-consumer soft-drink bottles was performed. Activation was carried out at 925 °C under CO2 atmosphere to different burn-off degrees. Textural characterisation of the samples was carried out by performing N2 adsorption isotherms at -196 °C. The obtained carbons materials were mainly microporous, presenting low meso and macroporosity, and apparent BET surface areas of upto 2500 m2 g-1. The capacity of these materials for phenol adsorption and PAHs removal from aqueous solutions was measured and compared with that attained with commercial active carbons. Preliminary tests also showed high hydrogen uptake values, as good as the results obtained with high-tech carbon materials.

  4. Yeast-based microporous carbon materials for carbon dioxide capture. (United States)

    Shen, Wenzhong; He, Yue; Zhang, Shouchun; Li, Junfen; Fan, Weibin


    A hierarchical microporous carbon material with a Brunauer-Emmett-Teller surface area of 1348 m(2) g(-1) and a pore volume of 0.67 cm(3) g(-1) was prepared from yeast through chemical activation with potassium hydroxide. This type of material contains large numbers of nitrogen-containing groups (nitrogen content >5.3 wt%), and, consequently, basic sites. As a result, this material shows a faster adsorption rate and a higher adsorption capacity of CO(2) than the material obtained by directly carbonizing yeast under the same conditions. The difference is more pronounced in the presence of N(2) or H(2)O, showing that chemical activation of discarded yeast with potassium hydroxide could afford high-performance microporous carbon materials for the capture of CO(2).

  5. Imperfect two-dimensional topological insulator field-effect transistors (United States)

    Vandenberghe, William G.; Fischetti, Massimo V.


    To overcome the challenge of using two-dimensional materials for nanoelectronic devices, we propose two-dimensional topological insulator field-effect transistors that switch based on the modulation of scattering. We model transistors made of two-dimensional topological insulator ribbons accounting for scattering with phonons and imperfections. In the on-state, the Fermi level lies in the bulk bandgap and the electrons travel ballistically through the topologically protected edge states even in the presence of imperfections. In the off-state the Fermi level moves into the bandgap and electrons suffer from severe back-scattering. An off-current more than two-orders below the on-current is demonstrated and a high on-current is maintained even in the presence of imperfections. At low drain-source bias, the output characteristics are like those of conventional field-effect transistors, at large drain-source bias negative differential resistance is revealed. Complementary n- and p-type devices can be made enabling high-performance and low-power electronic circuits using imperfect two-dimensional topological insulators. PMID:28106059

  6. Kronecker Product of Two-dimensional Arrays

    Institute of Scientific and Technical Information of China (English)

    Lei Hu


    Kronecker sequences constructed from short sequences are good sequences for spread spectrum communication systems. In this paper we study a similar problem for two-dimensional arrays, and we determine the linear complexity of the Kronecker product of two arrays. Our result shows that similar good property on linear complexity holds for Kronecker product of arrays.

  7. Two-Dimensional Toda-Heisenberg Lattice

    Directory of Open Access Journals (Sweden)

    Vadim E. Vekslerchik


    Full Text Available We consider a nonlinear model that is a combination of the anisotropic two-dimensional classical Heisenberg and Toda-like lattices. In the framework of the Hirota direct approach, we present the field equations of this model as a bilinear system, which is closely related to the Ablowitz-Ladik hierarchy, and derive its N-soliton solutions.

  8. A novel two dimensional particle velocity sensor

    NARCIS (Netherlands)

    Pjetri, Olti; Wiegerink, Remco J.; Lammerink, Theo S.; Krijnen, Gijs J.


    In this paper we present a two wire, two-dimensional particle velocity sensor. The miniature sensor of size 1.0x2.5x0.525 mm, consisting of only two crossed wires, shows excellent directional sensitivity in both directions, thus requiring no directivity calibration, and is relatively easy to fabrica

  9. Two-dimensional microstrip detector for neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Oed, A. [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)


    Because of their robust design, gas microstrip detectors, which were developed at ILL, can be assembled relatively quickly, provided the prefabricated components are available. At the beginning of 1996, orders were received for the construction of three two-dimensional neutron detectors. These detectors have been completed. The detectors are outlined below. (author). 2 refs.

  10. Two-dimensional magma-repository interactions

    NARCIS (Netherlands)

    Bokhove, O.


    Two-dimensional simulations of magma-repository interactions reveal that the three phases --a shock tube, shock reflection and amplification, and shock attenuation and decay phase-- in a one-dimensional flow tube model have a precursor. This newly identified phase ``zero'' consists of the impact of

  11. Two-dimensional subwavelength plasmonic lattice solitons

    CERN Document Server

    Ye, F; Hu, B; Panoiu, N C


    We present a theoretical study of plasmonic lattice solitons (PLSs) formed in two-dimensional (2D) arrays of metallic nanowires embedded into a nonlinear medium with Kerr nonlinearity. We analyze two classes of 2D PLSs families, namely, fundamental and vortical PLSs in both focusing and defocusing media. Their existence, stability, and subwavelength spatial confinement are studied in detai

  12. A two-dimensional Dirac fermion microscope

    DEFF Research Database (Denmark)

    Bøggild, Peter; Caridad, Jose; Stampfer, Christoph


    in the solid state. Here we provide a perspective view on how a two-dimensional (2D) Dirac fermion-based microscope can be realistically implemented and operated, using graphene as a vacuum chamber for ballistic electrons. We use semiclassical simulations to propose concrete architectures and design rules of 2...

  13. Engineering carbon materials from the hydrothermal carbonization process of biomass. (United States)

    Hu, Bo; Wang, Kan; Wu, Liheng; Yu, Shu-Hong; Antonietti, Markus; Titirici, Maria-Magdalena


    Energy shortage, environmental crisis, and developing customer demands have driven people to find facile, low-cost, environmentally friendly, and nontoxic routes to produce novel functional materials that can be commercialized in the near future. Amongst various techniques, the hydrothermal carbonization (HTC) process of biomass (either of isolated carbohydrates or crude plants) is a promising candidate for the synthesis of novel carbon-based materials with a wide variety of potential applications. In this Review, we will discuss various synthetic routes towards such novel carbon-based materials or composites via the HTC process of biomass. Furthermore, factors that influence the carbonization process will be analyzed and the special chemical/physical properties of the final products will be discussed. Despite the lack of a clear mechanism, these novel carbonaceous materials have already shown promising applications in many fields such as carbon fixation, water purification, fuel cell catalysis, energy storage, CO(2) sequestration, bioimaging, drug delivery, and gas sensors. Some of the most promising examples will also be discussed here, demonstrating that the HTC process can rationally design a rich family of carbonaceous and hybrid functional carbon materials with important applications in a sustainable fashion.

  14. CO2 capture in different carbon materials. (United States)

    Jiménez, Vicente; Ramírez-Lucas, Ana; Díaz, José Antonio; Sánchez, Paula; Romero, Amaya


    In this work, the CO(2) capture capacity of different types of carbon nanofibers (platelet, fishbone, and ribbon) and amorphous carbon have been measured at 26 °C as at different pressures. The results showed that the more graphitic carbon materials adsorbed less CO(2) than more amorphous materials. Then, the aim was to improve the CO(2) adsorption capacity of the carbon materials by increasing the porosity during the chemical activation process. After chemical activation process, the amorphous carbon and platelet CNFs increased the CO(2) adsorption capacity 1.6 times, whereas fishbone and ribbon CNFs increased their CO(2) adsorption capacity 1.1 and 8.2 times, respectively. This increase of CO(2) adsorption capacity after chemical activation was due to an increase of BET surface area and pore volume in all carbon materials. Finally, the CO(2) adsorption isotherms showed that activated amorphous carbon exhibited the best CO(2) capture capacity with 72.0 wt % of CO(2) at 26 °C and 8 bar.

  15. Two-dimensional ranking of Wikipedia articles (United States)

    Zhirov, A. O.; Zhirov, O. V.; Shepelyansky, D. L.


    The Library of Babel, described by Jorge Luis Borges, stores an enormous amount of information. The Library exists ab aeterno. Wikipedia, a free online encyclopaedia, becomes a modern analogue of such a Library. Information retrieval and ranking of Wikipedia articles become the challenge of modern society. While PageRank highlights very well known nodes with many ingoing links, CheiRank highlights very communicative nodes with many outgoing links. In this way the ranking becomes two-dimensional. Using CheiRank and PageRank we analyze the properties of two-dimensional ranking of all Wikipedia English articles and show that it gives their reliable classification with rich and nontrivial features. Detailed studies are done for countries, universities, personalities, physicists, chess players, Dow-Jones companies and other categories.

  16. Two-Dimensional NMR Lineshape Analysis (United States)

    Waudby, Christopher A.; Ramos, Andres; Cabrita, Lisa D.; Christodoulou, John


    NMR titration experiments are a rich source of structural, mechanistic, thermodynamic and kinetic information on biomolecular interactions, which can be extracted through the quantitative analysis of resonance lineshapes. However, applications of such analyses are frequently limited by peak overlap inherent to complex biomolecular systems. Moreover, systematic errors may arise due to the analysis of two-dimensional data using theoretical frameworks developed for one-dimensional experiments. Here we introduce a more accurate and convenient method for the analysis of such data, based on the direct quantum mechanical simulation and fitting of entire two-dimensional experiments, which we implement in a new software tool, TITAN (TITration ANalysis). We expect the approach, which we demonstrate for a variety of protein-protein and protein-ligand interactions, to be particularly useful in providing information on multi-step or multi-component interactions.

  17. Towards two-dimensional search engines

    CERN Document Server

    Ermann, Leonardo; Shepelyansky, Dima L


    We study the statistical properties of various directed networks using ranking of their nodes based on the dominant vectors of the Google matrix known as PageRank and CheiRank. On average PageRank orders nodes proportionally to a number of ingoing links, while CheiRank orders nodes proportionally to a number of outgoing links. In this way the ranking of nodes becomes two-dimensional that paves the way for development of two-dimensional search engines of new type. Information flow properties on PageRank-CheiRank plane are analyzed for networks of British, French and Italian Universities, Wikipedia, Linux Kernel, gene regulation and other networks. Methods of spam links control are also analyzed.

  18. Toward two-dimensional search engines (United States)

    Ermann, L.; Chepelianskii, A. D.; Shepelyansky, D. L.


    We study the statistical properties of various directed networks using ranking of their nodes based on the dominant vectors of the Google matrix known as PageRank and CheiRank. On average PageRank orders nodes proportionally to a number of ingoing links, while CheiRank orders nodes proportionally to a number of outgoing links. In this way, the ranking of nodes becomes two dimensional which paves the way for the development of two-dimensional search engines of a new type. Statistical properties of information flow on the PageRank-CheiRank plane are analyzed for networks of British, French and Italian universities, Wikipedia, Linux Kernel, gene regulation and other networks. A special emphasis is done for British universities networks using the large database publicly available in the UK. Methods of spam links control are also analyzed.

  19. Two-Dimensional Scheduling: A Review

    Directory of Open Access Journals (Sweden)

    Zhuolei Xiao


    Full Text Available In this study, we present a literature review, classification schemes and analysis of methodology for scheduling problems on Batch Processing machine (BP with both processing time and job size constraints which is also regarded as Two-Dimensional (TD scheduling. Special attention is given to scheduling problems with non-identical job sizes and processing times, with details of the basic algorithms and other significant results.

  20. Two dimensional fermions in four dimensional YM

    CERN Document Server

    Narayanan, R


    Dirac fermions in the fundamental representation of SU(N) live on a two dimensional torus flatly embedded in $R^4$. They interact with a four dimensional SU(N) Yang Mills vector potential preserving a global chiral symmetry at finite $N$. As the size of the torus in units of $\\frac{1}{\\Lambda_{SU(N)}}$ is varied from small to large, the chiral symmetry gets spontaneously broken in the infinite $N$ limit.

  1. Two-dimensional Kagome photonic bandgap waveguide

    DEFF Research Database (Denmark)

    Nielsen, Jens Bo; Søndergaard, Thomas; Libori, Stig E. Barkou;


    The transverse-magnetic photonic-bandgap-guidance properties are investigated for a planar two-dimensional (2-D) Kagome waveguide configuration using a full-vectorial plane-wave-expansion method. Single-moded well-localized low-index guided modes are found. The localization of the optical modes...... is investigated with respect to the width of the 2-D Kagome waveguide, and the number of modes existing for specific frequencies and waveguide widths is mapped out....

  2. String breaking in two-dimensional QCD

    CERN Document Server

    Hornbostel, K J


    I present results of a numerical calculation of the effects of light quark-antiquark pairs on the linear heavy-quark potential in light-cone quantized two-dimensional QCD. I extract the potential from the Q-Qbar component of the ground-state wavefunction, and observe string breaking at the heavy-light meson pair threshold. I briefly comment on the states responsible for the breaking.

  3. Two-dimensional supramolecular electron spin arrays. (United States)

    Wäckerlin, Christian; Nowakowski, Jan; Liu, Shi-Xia; Jaggi, Michael; Siewert, Dorota; Girovsky, Jan; Shchyrba, Aneliia; Hählen, Tatjana; Kleibert, Armin; Oppeneer, Peter M; Nolting, Frithjof; Decurtins, Silvio; Jung, Thomas A; Ballav, Nirmalya


    A bottom-up approach is introduced to fabricate two-dimensional self-assembled layers of molecular spin-systems containing Mn and Fe ions arranged in a chessboard lattice. We demonstrate that the Mn and Fe spin states can be reversibly operated by their selective response to coordination/decoordination of volatile ligands like ammonia (NH3). Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Two dimensional echocardiographic detection of intraatrial masses. (United States)

    DePace, N L; Soulen, R L; Kotler, M N; Mintz, G S


    With two dimensional echocardiography, a left atrial mass was detected in 19 patients. Of these, 10 patients with rheumatic mitral stenosis had a left atrial thrombus. The distinctive two dimensional echocardiographic features of left atrial thrombus included a mass of irregular nonmobile laminated echos within an enlarged atrial cavity, usually with a broad base of attachment to the posterior left atrial wall. Seven patients had a left atrial myxoma. Usually, the myxoma appeared as a mottled ovoid, sharply demarcated mobile mass attached to the interatrial septum. One patient had a right atrial angiosarcoma that appeared as a nonmobile mass extending from the inferior vena caval-right atrial junction into the right atrial cavity. One patient had a left atrial leiomyosarcoma producing a highly mobile mass attached to the lateral wall of the left atrium. M mode echocardiography detected six of the seven myxomas, one thrombus and neither of the other tumors. Thus, two dimensional echocardiography appears to be the technique of choice in the detection, localization and differentiation of intraatrial masses.

  5. Experimental realization of two-dimensional boron sheets. (United States)

    Feng, Baojie; Zhang, Jin; Zhong, Qing; Li, Wenbin; Li, Shuai; Li, Hui; Cheng, Peng; Meng, Sheng; Chen, Lan; Wu, Kehui


    A variety of two-dimensional materials have been reported in recent years, yet single-element systems such as graphene and black phosphorus have remained rare. Boron analogues have been predicted, as boron atoms possess a short covalent radius and the flexibility to adopt sp(2) hybridization, features that favour the formation of two-dimensional allotropes, and one example of such a borophene material has been reported recently. Here, we present a parallel experimental work showing that two-dimensional boron sheets can be grown epitaxially on a Ag(111) substrate. Two types of boron sheet, a β12 sheet and a χ3 sheet, both exhibiting a triangular lattice but with different arrangements of periodic holes, are observed by scanning tunnelling microscopy. Density functional theory simulations agree well with experiments, and indicate that both sheets are planar without obvious vertical undulations. The boron sheets are quite inert to oxidization and interact only weakly with their substrate. We envisage that such boron sheets may find applications in electronic devices in the future.

  6. Folding two dimensional crystals by swift heavy ion irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Ochedowski, Oliver; Bukowska, Hanna [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany); Freire Soler, Victor M. [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany); Departament de Fisica Aplicada i Optica, Universitat de Barcelona, E08028 Barcelona (Spain); Brökers, Lara [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany); Ban-d' Etat, Brigitte; Lebius, Henning [CIMAP (CEA-CNRS-ENSICAEN-UCBN), 14070 Caen Cedex 5 (France); Schleberger, Marika, E-mail: [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany)


    Ion irradiation of graphene, the showcase model of two dimensional crystals, has been successfully applied to induce various modifications in the graphene crystal. One of these modifications is the formation of origami like foldings in graphene which are created by swift heavy ion irradiation under glancing incidence angle. These foldings can be applied to locally alter the physical properties of graphene like mechanical strength or chemical reactivity. In this work we show that the formation of foldings in two dimensional crystals is not restricted to graphene but can be applied for other materials like MoS{sub 2} and hexagonal BN as well. Further we show that chemical vapour deposited graphene forms foldings after swift heavy ion irradiation while chemical vapour deposited MoS{sub 2} does not.

  7. Nonlinear acoustic propagation in two-dimensional ducts (United States)

    Nayfeh, A. H.; Tsai, M.-S.


    The method of multiple scales is used to obtain a second-order uniformly valid expansion for the nonlinear acoustic wave propagation in a two-dimensional duct whose walls are treated with a nonlinear acoustic material. The wave propagation in the duct is characterized by the unsteady nonlinear Euler equations. The results show that nonlinear effects tend to flatten and broaden the absorption versus frequency curve, in qualitative agreement with the experimental observations. Moreover, the effect of the gas nonlinearity increases with increasing sound frequency, whereas the effect of the material nonlinearity decreases with increasing sound frequency.

  8. Carbon nanotube materials from hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Dillon, A.C.; Bekkedahl, T.A.; Cahill, A.F. [National Renewable Energy Laboratory, Golden, CO (United States)


    The lack of convenient and cost-effective hydrogen storage is a major impediment to wide scale use of hydrogen in the United States energy economy. Improvements in the energy densities of hydrogen storage systems, reductions in cost, and increased compatibility with available and forecasted systems are required before viable hydrogen energy use pathways can be established. Carbon-based hydrogen adsorption materials hold particular promise for meeting and exceeding the U.S. Department of Energy hydrogen storage energy density targets for transportation if concurrent increases in hydrogen storage capacity and carbon density can be achieved. These two goals are normally in conflict for conventional porous materials, but may be reconciled by the design and synthesis of new adsorbent materials with tailored pore size distributions and minimal macroporosity. Carbon nanotubes offer the possibility to explore new designs for adsorbents because they can be fabricated with small size distributions, and naturally tend to self-assemble by van der Waals forces. This year we report heats of adsorption for hydrogen on nanotube materials that are 2 and 3 times greater than for hydrogen on activated carbon. The hydrogen which is most strongly bound to these materials remains on the carbon surface to temperatures greater than 285 K. These results suggest that nanocapillary forces are active in stabilizing hydrogen on the surfaces of carbon nanotubes, and that optimization of the adsorbent will lead to effective storage at higher temperatures. In this paper we will also report on our activities which are targeted at understanding and optimizing the nucleation and growth of single wall nanotubes. These experiments were made possible by the development of a unique feedback control circuit which stabilized the plasma-arc during a synthesis run.

  9. Functional Carbon Materials for Electrochemical Energy Storage (United States)

    Zhou, Huihui

    The ability to harvest and convert solar energy has been associated with the evolution of human civilization. The increasing consumption of fossil fuels since the industrial revolution, however, has brought to concerns in ecological deterioration and depletion of the fossil fuels. Facing these challenges, humankind is forced to seek for clean, sustainable and renewable energy resources, such as biofuels, hydraulic power, wind power, geothermal energy and other kinds of alternative energies. However, most alternative energy sources, generally in the form of electrical energy, could not be made available on a continuous basis. It is, therefore, essential to store such energy into chemical energy, which are portable and various applications. In this context, electrochemical energy-storage devices hold great promises towards this goal. The most common electrochemical energy-storage devices are electrochemical capacitors (ECs, also called supercapacitors) and batteries. In comparison to batteries, ECs posses high power density, high efficiency, long cycling life and low cost. ECs commonly utilize carbon as both (symmetric) or one of the electrodes (asymmetric), of which their performance is generally limited by the capacitance of the carbon electrodes. Therefore, developing better carbon materials with high energy density has been emerging as one the most essential challenges in the field. The primary objective of this dissertation is to design and synthesize functional carbon materials with high energy density at both aqueous and organic electrolyte systems. The energy density (E) of ECs are governed by E = CV 2/2, where C is the total capacitance and V is the voltage of the devices. Carbon electrodes with high capacitance and high working voltage should lead to high energy density. In the first part of this thesis, a new class of nanoporous carbons were synthesized for symmetric supercapacitors using aqueous Li2SO4 as the electrolyte. A unique precursor was adopted to

  10. Weakly disordered two-dimensional Frenkel excitons (United States)

    Boukahil, A.; Zettili, Nouredine


    We report the results of studies of the optical properties of weakly disordered two- dimensional Frenkel excitons in the Coherent Potential Approximation (CPA). An approximate complex Green's function for a square lattice with nearest neighbor interactions is used in the self-consistent equation to determine the coherent potential. It is shown that the Density of States is very much affected by the logarithmic singularities in the Green's function. Our CPA results are in excellent agreement with previous investigations by Schreiber and Toyozawa using the Monte Carlo simulation.

  11. Theory of two-dimensional transformations


    Kanayama, Yutaka J.; Krahn, Gary W.


    The article of record may be found at Robotics and Automation, IEEE Transactions on This paper proposes a new "heterogeneous" two-dimensional (2D) transformation group ___ to solve motion analysis/planning problems in robotics. In this theory, we use a 3×1 matrix to represent a transformation as opposed to a 3×3 matrix in the homogeneous formulation. First, this theory is as capable as the homogeneous theory, Because of the minimal size, its implement...

  12. Two-dimensional ranking of Wikipedia articles

    CERN Document Server

    Zhirov, A O; Shepelyansky, D L


    The Library of Babel, described by Jorge Luis Borges, stores an enormous amount of information. The Library exists {\\it ab aeterno}. Wikipedia, a free online encyclopaedia, becomes a modern analogue of such a Library. Information retrieval and ranking of Wikipedia articles become the challenge of modern society. We analyze the properties of two-dimensional ranking of all Wikipedia English articles and show that it gives their reliable classification with rich and nontrivial features. Detailed studies are done for countries, universities, personalities, physicists, chess players, Dow-Jones companies and other categories.

  13. Sums of two-dimensional spectral triples

    DEFF Research Database (Denmark)

    Christensen, Erik; Ivan, Cristina


    construct a sum of two dimensional modules which reflects some aspects of the topological dimensions of the compact metric space, but this will only give the metric back approximately. At the end we make an explicit computation of the last module for the unit interval in. The metric is recovered exactly......, the Dixmier trace induces a multiple of the Lebesgue integral but the growth of the number of eigenvalues is different from the one found for the standard differential operator on the unit interval....

  14. Binding energy of two-dimensional biexcitons

    DEFF Research Database (Denmark)

    Singh, Jai; Birkedal, Dan; Vadim, Lyssenko;


    Using a model structure for a two-dimensional (2D) biexciton confined in a quantum well, it is shown that the form of the Hamiltonian of the 2D biexciton reduces into that of an exciton. The binding energies and Bohr radii of a 2D biexciton in its various internal energy states are derived...... analytically using the fractional dimension approach. The ratio of the binding energy of a 2D biexciton to that of a 2D exciton is found to be 0.228, which agrees very well with the recent experimental value. The results of our approach are compared with those of earlier theories....

  15. Dynamics of film. [two dimensional continua theory (United States)

    Zak, M.


    The general theory of films as two-dimensional continua are elaborated upon. As physical realizations of such a model this paper examines: inextensible films, elastic films, and nets. The suggested dynamic equations have enabled us to find out the characteristic speeds of wave propagation of the invariants of external and internal geometry and formulate the criteria of instability of their shape. Also included herein is a detailed account of the equation describing the film motions beyond the limits of the shape stability accompanied by the formation of wrinkles. The theory is illustrated by examples.

  16. Electron Field Emission from Nanostructured Carbon Materials (United States)

    Gupta, Sanju


    Fabricating small structures has almost become fashionable and the rationale is that reducing one or more dimensions below some critical length changes the systems' physical properties drastically, where nanocrystalline diamond (n-D) and carbon nanotubes (CNTs) in the class of advanced carbon materials serve model examples. Emission of electrons at room temperature - cold electron emitters - are of vital importance for a variety of vacuum microelectronic devices - electron microscopes, photo multipliers, X-ray generators, lamps, and flat panel displays and microwave cathodes. Electron emitters may lead to otherwise difficult to obtain advantages in performance and/or design. This is the driving force to investigate the carbon-related materials as cold cathodes. In this talk, the performance of various forms of carbon in thin film form including diamond, n-D, and vertically aligned CNTs as cold cathodes for their potential use in field emission displays (FEDs) in terms of I-V characteristics and corresponding spatial imaging will be presented. Physics based models such as, NEA, surface modification, geometric enhancement, and microstructure alteration due to particle bombardment, and doping, will be described to support the experimental observations of electron field enhancement (low turn-on voltage, high current and emission site density) and its reliability from the abovementioned carbon-related materials. Other vacuum device applications such as thermionic power generators will be mentioned briefly.

  17. Brittle Destruction of Carbon Based Materials (United States)

    Koza, Y.; Amouroux, S.; Bazylev, B. N.; Berthe, E.; Kuehnlein, W.; Linke, J.; Penkalla, H. J.; Singheiser, L.

    Erosion mechanisms for different carbon based materials (graphite, carbon fiber composites (CFCs), Si-doped CFC) have been studied under brittle destruction under intense transient thermal loads (ELMs, plasma disruptions, VDEs) with respect to material erosion in different particle emission regimes, characterization of emitted particles, and behavior of preheated samples. Furthermore, the experimental data were compared with 3-D numerical simulation on the onset of brittle destruction. From a morphological point of view, the resulting erosion patterns on the test samples and ejected particles differ significantly for the three materials. The isotropic graphite shows a homogeneous erosion profile with flat craters, while the CFC forms no crater and only preferential erosion in localized spots in the PAN fiber area while the pitch fiber strands remain almost undamaged. The particles originating from graphite samples which have been collected on TEM grids are composed of nano sized amorphous carbon. CFCs have been the source for sub Î 1/4 m sized agglomerated fragments of crystalline carbon or silicon particles with âe 1/4 50 nm diameter. Preheating of the test samples to 500 or 800°C results in a remarkable increase of the erosion depth and weight loss compared to the samples loaded at room temperature and identical heat fluxes. In particular, melting phenomena in the Si-doped CFC materials became essential at elevated temperatures.

  18. Carbon nanotubes/carbon fiber hybrid material: a super support material for sludge biofilms. (United States)

    Liu, Qijie; Dai, Guangze; Bao, Yanling


    Carbon fiber (CF) is widely used as a sludge biofilm support material for wastewater treatment. Carbon nanotubes/carbon fiber (CNTs/CF) hybrid material was prepared by ultrasonically assisted electrophoretic deposition (EPD). CF supports (CF without handling, CF oxidized by nitric acid, CNTs/CF hybrid material) were evaluated by sludge immobilization tests, bacterial cell adsorption tests and Derjaguin -Landau -Verwey -Overbeek (DLVO) theory. We found that the CNTs/CF hybrid material has a high capacity for adsorbing activated sludge, nitrifying bacterial sludge and pure strains (Escherichia coli and Staphylococcus aureus). CNTs deposited on CF surface easily wound around the curved surface of bacterial cell which resulted in capturing more bacterial cells. DLVO theory indicated the lowest total interaction energy of CNTs/CF hybrid material, which resulted in the highest bacteria cell adsorption velocity. Experiments and DLVO theory results proved that CNTs/CF hybrid material is a super support material for sludge biofilms.

  19. Two-dimensional gauge theoretic supergravities (United States)

    Cangemi, D.; Leblanc, M.


    We investigate two-dimensional supergravity theories, which can be built from a topological and gauge invariant action defined on an ordinary surface. One is the N = 1 supersymmetric extension of the Jackiw-Teitelboim model presented by Chamseddine in a superspace formalism. We complement the proof of Montano, Aoaki and Sonnenschein that this extension is topological and gauge invariant, based on the graded de Sitter algebra. Not only do the equations of motion correspond to the supergravity ones and do gauge transformations encompass local supersymmetries, but we also identify the ∫-theory with the superfield formalism action written by Chamseddine. Next, we show that the N = 1 supersymmetric extension of string-inspired two-dimensional dilaton gravity put forward by Park and Strominger cannot be written as a ∫-theory. As an alternative, we propose two topological and gauge theories that are based on a graded extension of the extended Poincaré algebra and satisfy a vanishing-curvature condition. Both models are supersymmetric extensions of the string-inspired dilaton gravity.

  20. Two-Dimensional Theory of Scientific Representation

    Directory of Open Access Journals (Sweden)

    A Yaghmaie


    Full Text Available Scientific representation is an interesting topic for philosophers of science, many of whom have recently explored it from different points of view. There are currently two competing approaches to the issue: cognitive and non-cognitive, and each of them claims its own merits over the other. This article tries to provide a hybrid theory of scientific representation, called Two-Dimensional Theory of Scientific Representation, which has the merits of the two accounts and is free of their shortcomings. To do this, we will argue that although scientific representation needs to use the notion of intentionality, such a notion is defined and realized in a simply structural form contrary to what cognitive approach says about intentionality. After a short introduction, the second part of the paper is devoted to introducing theories of scientific representation briefly. In the third part, the structural accounts of representation will be criticized. The next step is to introduce the two-dimensional theory which involves two key components: fixing and structural fitness. It will be argued that fitness is an objective and non-intentional relation, while fixing is intentional.

  1. Existence and Stability of Two-Dimensional Compact-Like Discrete Breathers in Discrete Two-Dimensional Monatomic Square Lattices

    Institute of Scientific and Technical Information of China (English)

    XU Quan; TIAN Qiang


    Two-dimensional compact-like discrete breathers in discrete two-dimensional monatomic square lattices are investigated by discussing a generafized discrete two-dimensional monatomic model.It is proven that the twodimensional compact-like discrete breathers exist not only in two-dimensional soft Ф4 potentials but also in hard two-dimensional Ф4 potentials and pure two-dimensional K4 lattices.The measurements of the two-dimensional compact-like discrete breather cores in soft and hard two-dimensional Ф4 potential are determined by coupling parameter K4,while those in pure two-dimensional K4 lattices have no coupling with parameter K4.The stabilities of the two-dimensional compact-like discrete breathers correlate closely to the coupling parameter K4 and the boundary condition of lattices.

  2. A Comprehensive Review of Gas Sensors Using Carbon Materials. (United States)

    Kim, Min Il; Lee, Young-Seak


    In recent years, interest in carbon materials for use in gas sensors has increased. Carbon materials have unique electrical, optical and mechanical properties, making these materials very interesting. In this review, the properties of carbon materials are first introduced. Surface modification for carbon materials, fabrication for gas sensors, and the gas-sensing conditions and mechanisms according to the different types of carbon materials are chiefly described. In particular, this review focuses on the enhancement of the gas-sensing properties of carbon materials depending on the modification methods used and its mechanism.

  3. Positivity-preserving cell-centered Lagrangian schemes for multi-material compressible flows: From first-order to high-orders. Part II: The two-dimensional case (United States)

    Vilar, François; Shu, Chi-Wang; Maire, Pierre-Henri


    This paper is the second part of a series of two. It follows [44], in which the positivity-preservation property of methods solving one-dimensional Lagrangian gas dynamics equations, from first-order to high-orders of accuracy, was addressed. This article aims at extending this analysis to the two-dimensional case. This study is performed on a general first-order cell-centered finite volume formulation based on polygonal meshes defined either by straight line edges, conical edges, or any high-order curvilinear edges. Such formulation covers the numerical methods introduced in [6,32,5,41,43]. This positivity study is then extended to high-orders of accuracy. Through this new procedure, scheme robustness is highly improved and hence new problems can be tackled. Numerical results are provided to demonstrate the effectiveness of these methods. It is important to point out that even if this paper is concerned with purely Lagrangian schemes, the theory developed is of fundamental importance for any methods relying on a purely Lagrangian step, as ALE methods or non-direct Euler schemes.

  4. Materials design for electrocatalytic carbon capture (United States)

    Tan, Xin; Tahini, Hassan A.; Smith, Sean C.


    We discuss our philosophy for implementation of the Materials Genome Initiative through an integrated materials design strategy, exemplified here in the context of electrocatalytic capture and separation of CO2 gas. We identify for a group of 1:1 X-N graphene analogue materials that electro-responsive switchable CO2 binding behavior correlates with a change in the preferred binding site from N to the adjacent X atom as negative charge is introduced into the system. A reconsideration of conductive N-doped graphene yields the discovery that the N-dopant is able to induce electrocatalytic binding of multiple CO2 molecules at the adjacent carbon sites.

  5. Multifunctional Carbon Electromagnetic Materials, Motors, and Actuators Project (United States)

    National Aeronautics and Space Administration — The purpose of the proposal is to apply multifunctional carbon electromagnetic materials, including carbon nanotube electrical thread (replaces copper wire) and...

  6. Two-dimensional dispersive shock waves in dissipative optical media

    CERN Document Server

    Kartashov, Yaroslav V


    We study generation of two-dimensional dispersive shock waves and oblique dark solitons upon interaction of tilted plane waves with negative refractive index defects embedded into defocusing material with linear gain and two-photon absorption. Different evolution regimes are encountered including the formation of well-localized disturbances for input tilts below critical one, and generation of extended shock waves containing multiple intensity oscillations in the "upstream" region and gradually vanishing oblique dark solitons in "downstream" region for input tilts exceeding critical one. The generation of stable dispersive shock waves is possible only below certain critical defect strength.

  7. Theories on Frustrated Electrons in Two-Dimensional Organic Solids

    Directory of Open Access Journals (Sweden)

    Chisa Hotta


    Full Text Available Two-dimensional quarter-filled organic solids are a promising class of materials to realize the strongly correlated insulating states called dimer Mott insulator and charge order. In their conducting layer, the molecules form anisotropic triangular lattices, harboring geometrical frustration effect, which could give rise to many interesting states of matter in the two insulators and in the metals adjacent to them. This review is concerned with the theoretical studies on such issue over the past ten years, and provides the systematic understanding on exotic metals, dielectrics, and spin liquids, which are the consequences of the competing correlation and fluctuation under frustration.

  8. Two-dimensional chiral topological superconductivity in Shiba lattices (United States)

    Li, Jian; Neupert, Titus; Wang, Zhijun; MacDonald, A. H.; Yazdani, A.; Bernevig, B. Andrei


    The chiral p-wave superconductor is the archetypal example of a state of matter that supports non-Abelian anyons, a highly desired type of exotic quasiparticle. With this, it is foundational for the distant goal of building a topological quantum computer. While some candidate materials for bulk chiral superconductors exist, they are subject of an ongoing debate about their actual paring state. Here we propose an alternative route to chiral superconductivity, consisting of the surface of an ordinary superconductor decorated with a two-dimensional lattice of magnetic impurities. We furthermore identify a promising experimental platform to realize this proposal.

  9. Carbon Nanotube Composites: Strongest Engineering Material Ever? (United States)

    Mayeaux, Brian; Nikolaev, Pavel; Proft, William; Nicholson, Leonard S. (Technical Monitor)


    The primary goal of the carbon nanotube project at Johnson Space Center (JSC) is to fabricate structural materials with a much higher strength-to-weight ratio than any engineered material today, Single-wall nanotubes present extraordinary mechanical properties along with new challenges for materials processing. Our project includes nanotube production, characterization, purification, and incorporation into applications studies. Now is the time to move from studying individual nanotubes to applications work. Current research at JSC focuses on structural polymeric materials to attempt to lower the weight of spacecraft necessary for interplanetary missions. These nanoscale fibers present unique new challenges to composites engineers. Preliminary studies show good nanotube dispersion and wetting by the epoxy materials. Results of tensile strength tests will also be reported. Other applications of nanotubes are also of interest for energy storage, gas storage, nanoelectronics, field emission, and biomedical uses.

  10. E and S hysteresis model for two-dimensional magnetic properties

    CERN Document Server

    Soda, N


    We define an effective hysteresis model of two-dimensional magnetic properties for the magnetic field analysis. Our hysteresis model is applicable to both alternating and rotating flux conditions. Moreover, we compare the calculated results with the measured ones, and verify the accuracy of this model. We can calculate iron losses in the magnetic materials exactly. As a result, it is shown that the hysteresis model is generally applicable to two-dimensional magnetic properties of some kinds of magnetic materials.

  11. Optimal excitation of two dimensional Holmboe instabilities

    CERN Document Server

    Constantinou, Navid C


    Highly stratified shear layers are rendered unstable even at high stratifications by Holmboe instabilities when the density stratification is concentrated in a small region of the shear layer. These instabilities may cause mixing in highly stratified environments. However these instabilities occur in tongues for a limited range of parameters. We perform Generalized Stability analysis of the two dimensional perturbation dynamics of an inviscid Boussinesq stratified shear layer and show that Holmboe instabilities at high Richardson numbers can be excited by their adjoints at amplitudes that are orders of magnitude larger than by introducing initially the unstable mode itself. We also determine the optimal growth that obtains for parameters for which there is no instability. We find that there is potential for large transient growth regardless of whether the background flow is exponentially stable or not and that the characteristic structure of the Holmboe instability asymptotically emerges for parameter values ...

  12. Probabilistic Universality in two-dimensional Dynamics

    CERN Document Server

    Lyubich, Mikhail


    In this paper we continue to explore infinitely renormalizable H\\'enon maps with small Jacobian. It was shown in [CLM] that contrary to the one-dimensional intuition, the Cantor attractor of such a map is non-rigid and the conjugacy with the one-dimensional Cantor attractor is at most 1/2-H\\"older. Another formulation of this phenomenon is that the scaling structure of the H\\'enon Cantor attractor differs from its one-dimensional counterpart. However, in this paper we prove that the weight assigned by the canonical invariant measure to these bad spots tends to zero on microscopic scales. This phenomenon is called {\\it Probabilistic Universality}. It implies, in particular, that the Hausdorff dimension of the canonical measure is universal. In this way, universality and rigidity phenomena of one-dimensional dynamics assume a probabilistic nature in the two-dimensional world.

  13. Two-dimensional position sensitive neutron detector

    Indian Academy of Sciences (India)

    A M Shaikh; S S Desai; A K Patra


    A two-dimensional position sensitive neutron detector has been developed. The detector is a 3He + Kr filled multiwire proportional counter with charge division position readout and has a sensitive area of 345 mm × 345 mm, pixel size 5 mm × 5 mm, active depth 25 mm and is designed for efficiency of 70% for 4 Å neutrons. The detector is tested with 0.5 bar 3He + 1.5 bar krypton gas mixture in active chamber and 2 bar 4He in compensating chamber. The pulse height spectrum recorded at an anode potential of 2000 V shows energy resolution of ∼ 25% for the 764 keV peak. A spatial resolution of 8 mm × 6 mm is achieved. The detector is suitable for SANS studies in the range of 0.02–0.25 Å-1.

  14. Rationally synthesized two-dimensional polymers. (United States)

    Colson, John W; Dichtel, William R


    Synthetic polymers exhibit diverse and useful properties and influence most aspects of modern life. Many polymerization methods provide linear or branched macromolecules, frequently with outstanding functional-group tolerance and molecular weight control. In contrast, extending polymerization strategies to two-dimensional periodic structures is in its infancy, and successful examples have emerged only recently through molecular framework, surface science and crystal engineering approaches. In this Review, we describe successful 2D polymerization strategies, as well as seminal research that inspired their development. These methods include the synthesis of 2D covalent organic frameworks as layered crystals and thin films, surface-mediated polymerization of polyfunctional monomers, and solid-state topochemical polymerizations. Early application targets of 2D polymers include gas separation and storage, optoelectronic devices and membranes, each of which might benefit from predictable long-range molecular organization inherent to this macromolecular architecture.

  15. Janus Spectra in Two-Dimensional Flows (United States)

    Liu, Chien-Chia; Cerbus, Rory T.; Chakraborty, Pinaki


    In large-scale atmospheric flows, soap-film flows, and other two-dimensional flows, the exponent of the turbulent energy spectra, α , may theoretically take either of two distinct values, 3 or 5 /3 , but measurements downstream of obstacles have invariably revealed α =3 . Here we report experiments on soap-film flows where downstream of obstacles there exists a sizable interval in which α transitions from 3 to 5 /3 for the streamwise fluctuations but remains equal to 3 for the transverse fluctuations, as if two mutually independent turbulent fields of disparate dynamics were concurrently active within the flow. This species of turbulent energy spectra, which we term the Janus spectra, has never been observed or predicted theoretically. Our results may open up new vistas in the study of turbulence and geophysical flows.

  16. Two-dimensional fourier transform spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    DeFlores, Lauren; Tokmakoff, Andrei


    The present invention relates to a system and methods for acquiring two-dimensional Fourier transform (2D FT) spectra. Overlap of a collinear pulse pair and probe induce a molecular response which is collected by spectral dispersion of the signal modulated probe beam. Simultaneous collection of the molecular response, pulse timing and characteristics permit real time phasing and rapid acquisition of spectra. Full spectra are acquired as a function of pulse pair timings and numerically transformed to achieve the full frequency-frequency spectrum. This method demonstrates the ability to acquire information on molecular dynamics, couplings and structure in a simple apparatus. Multi-dimensional methods can be used for diagnostic and analytical measurements in the biological, biomedical, and chemical fields.

  17. Two-dimensional fourier transform spectrometer (United States)

    DeFlores, Lauren; Tokmakoff, Andrei


    The present invention relates to a system and methods for acquiring two-dimensional Fourier transform (2D FT) spectra. Overlap of a collinear pulse pair and probe induce a molecular response which is collected by spectral dispersion of the signal modulated probe beam. Simultaneous collection of the molecular response, pulse timing and characteristics permit real time phasing and rapid acquisition of spectra. Full spectra are acquired as a function of pulse pair timings and numerically transformed to achieve the full frequency-frequency spectrum. This method demonstrates the ability to acquire information on molecular dynamics, couplings and structure in a simple apparatus. Multi-dimensional methods can be used for diagnostic and analytical measurements in the biological, biomedical, and chemical fields.


    Institute of Scientific and Technical Information of China (English)

    Chen Jiangfeng; Yuan Baozong; Pei Bingnan


    Recently,some research efforts have shown that face images possibly reside on a nonlinear sub-manifold. Though Laplacianfaces method considered the manifold structures of the face images,it has limits to solve face recognition problem. This paper proposes a new feature extraction method,Two Dimensional Laplacian EigenMap (2DLEM),which especially considers the manifold structures of the face images,and extracts the proper features from face image matrix directly by using a linear transformation. As opposed to Laplacianfaces,2DLEM extracts features directly from 2D images without a vectorization preprocessing. To test 2DLEM and evaluate its performance,a series of ex-periments are performed on the ORL database and the Yale database. Moreover,several experiments are performed to compare the performance of three 2D methods. The experiments show that 2DLEM achieves the best performance.

  19. Equivalency of two-dimensional algebras

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Gildemar Carneiro dos; Pomponet Filho, Balbino Jose S. [Universidade Federal da Bahia (UFBA), BA (Brazil). Inst. de Fisica


    Full text: Let us consider a vector z = xi + yj over the field of real numbers, whose basis (i,j) satisfy a given algebra. Any property of this algebra will be reflected in any function of z, so we can state that the knowledge of the properties of an algebra leads to more general conclusions than the knowledge of the properties of a function. However structural properties of an algebra do not change when this algebra suffers a linear transformation, though the structural constants defining this algebra do change. We say that two algebras are equivalent to each other whenever they are related by a linear transformation. In this case, we have found that some relations between the structural constants are sufficient to recognize whether or not an algebra is equivalent to another. In spite that the basis transform linearly, the structural constants change like a third order tensor, but some combinations of these tensors result in a linear transformation, allowing to write the entries of the transformation matrix as function of the structural constants. Eventually, a systematic way to find the transformation matrix between these equivalent algebras is obtained. In this sense, we have performed the thorough classification of associative commutative two-dimensional algebras, and find that even non-division algebra may be helpful in solving non-linear dynamic systems. The Mandelbrot set was used to have a pictorial view of each algebra, since equivalent algebras result in the same pattern. Presently we have succeeded in classifying some non-associative two-dimensional algebras, a task more difficult than for associative one. (author)

  20. Two-dimensional boron: Lightest catalyst for hydrogen and oxygen evolution reaction (United States)

    Mir, Showkat H.; Chakraborty, Sudip; Jha, Prakash C.; Wärnâ, John; Soni, Himadri; Jha, Prafulla K.; Ahuja, Rajeev


    The hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) have been envisaged on a two-dimensional (2D) boron sheet through electronic structure calculations based on a density functional theory framework. To date, boron sheets are the lightest 2D material and, therefore, exploring the catalytic activity of such a monolayer system would be quite intuitive both from fundamental and application perspectives. We have functionalized the boron sheet (BS) with different elemental dopants like carbon, nitrogen, phosphorous, sulphur, and lithium and determined the adsorption energy for each case while hydrogen and oxygen are on top of the doping site of the boron sheet. The free energy calculated from the individual adsorption energy for each functionalized BS subsequently guides us to predict which case of functionalization serves better for the HER or the OER.

  1. Cation intercalation and high volumetric capacitance of two-dimensional titanium carbide. (United States)

    Lukatskaya, Maria R; Mashtalir, Olha; Ren, Chang E; Dall'Agnese, Yohan; Rozier, Patrick; Taberna, Pierre Louis; Naguib, Michael; Simon, Patrice; Barsoum, Michel W; Gogotsi, Yury


    The intercalation of ions into layered compounds has long been exploited in energy storage devices such as batteries and electrochemical capacitors. However, few host materials are known for ions much larger than lithium. We demonstrate the spontaneous intercalation of cations from aqueous salt solutions between two-dimensional (2D) Ti3C2 MXene layers. MXenes combine 2D conductive carbide layers with a hydrophilic, primarily hydroxyl-terminated surface. A variety of cations, including Na(+), K(+), NH4(+), Mg(2+), and Al(3+), can also be intercalated electrochemically, offering capacitance in excess of 300 farads per cubic centimeter (much higher than that of porous carbons). This study provides a basis for exploring a large family of 2D carbides and carbonitrides in electrochemical energy storage applications using single- and multivalent ions.

  2. Supramolecular Nanocomposites: Dispersion of Zero-, One- and Two-dimensional Nanoparticles in Discotic Liquid Crystals (United States)

    Kumar, Sandeep


    Discotic liquid crystals are emerging as novel nanomaterials useful in many device applications. Recently their hybridization with various zero-, one- and two- dimensional metallic and semiconducting nanoparticles has been realized to alter and improve their thermal, supramolecular and electronic properties. In this article, we have overviewed the work carried out in our laboratories on the dispersion of various metallic, semiconducting and carbon nanoparticles in discotic liquid crystals. First a brief introduction of self-organizing supramolecular liquid crystalline materials is presented with an emphasis on discotic liquid crystals. This is followed by the description of various discotic liquid crystal-nanoparticle hybrid systems. A number of discotic liquid crystals, functionalized nanoparticles and their nanocomposites were prepared and studied by spectroscopic and analytical tools. The dispersion of such functionalized nanomaterials in columnar matrix enhances the physical properties such as, conductivity, photoconductivity, absorbance, etc., significantly without disturbing the supramolecular properties.

  3. Carbon Nanotubes Filled with Ferromagnetic Materials

    Directory of Open Access Journals (Sweden)

    Albrecht Leonhardt


    Full Text Available Carbon nanotubes (CNT filled with ferromagnetic metals like iron, cobalt or nickel are new and very interesting nanostructured materials with a number of unique properties. In this paper we give an overview about different chemical vapor deposition (CVD methods for their synthesis and discuss the influence of selected growth parameters. In addition we evaluate possible growth mechanisms involved in their formation. Moreover we show their identified structural and magnetic properties. On the basis of these properties we present different application possibilities. Some selected examples reveal the high potential of these materials in the field of medicine and nanotechnology.

  4. Amorphous titania/carbon composite electrode materials

    Energy Technology Data Exchange (ETDEWEB)

    Vaughey, John T.; Jansen, Andrew; Joyce, Christopher D.


    An isolated salt comprising a compound of formula (H.sub.2X)(TiO(Y).sub.2) or a hydrate thereof, wherein X is 1,4-diazabicyclo[2.2.2]octane (DABCO), and Y is oxalate anion (C.sub.2O.sub.4.sup.-2), when heated in an oxygen-containing atmosphere at a temperature in the range of at least about C. to less than about C., decomposes to form an amorphous titania/carbon composite material comprising about 40 to about 50 percent by weight titania and about 50 to about 60 percent by weight of a carbonaceous material coating the titania. Heating the composite material at a temperature of about 400 to C. crystallizes the titania component to anatase. The titania materials of the invention are useful as components of the cathode or anode of a lithium or lithium ion electrochemical cell.

  5. Two-dimensional gas of massless Dirac fermions in graphene. (United States)

    Novoselov, K S; Geim, A K; Morozov, S V; Jiang, D; Katsnelson, M I; Grigorieva, I V; Dubonos, S V; Firsov, A A


    Quantum electrodynamics (resulting from the merger of quantum mechanics and relativity theory) has provided a clear understanding of phenomena ranging from particle physics to cosmology and from astrophysics to quantum chemistry. The ideas underlying quantum electrodynamics also influence the theory of condensed matter, but quantum relativistic effects are usually minute in the known experimental systems that can be described accurately by the non-relativistic Schrödinger equation. Here we report an experimental study of a condensed-matter system (graphene, a single atomic layer of carbon) in which electron transport is essentially governed by Dirac's (relativistic) equation. The charge carriers in graphene mimic relativistic particles with zero rest mass and have an effective 'speed of light' c* approximately 10(6) m s(-1). Our study reveals a variety of unusual phenomena that are characteristic of two-dimensional Dirac fermions. In particular we have observed the following: first, graphene's conductivity never falls below a minimum value corresponding to the quantum unit of conductance, even when concentrations of charge carriers tend to zero; second, the integer quantum Hall effect in graphene is anomalous in that it occurs at half-integer filling factors; and third, the cyclotron mass m(c) of massless carriers in graphene is described by E = m(c)c*2. This two-dimensional system is not only interesting in itself but also allows access to the subtle and rich physics of quantum electrodynamics in a bench-top experiment.

  6. Two-dimensional wave propagation in layered periodic media

    KAUST Repository

    Quezada de Luna, Manuel


    We study two-dimensional wave propagation in materials whose properties vary periodically in one direction only. High order homogenization is carried out to derive a dispersive effective medium approximation. One-dimensional materials with constant impedance exhibit no effective dispersion. We show that a new kind of effective dispersion may arise in two dimensions, even in materials with constant impedance. This dispersion is a macroscopic effect of microscopic diffraction caused by spatial variation in the sound speed. We analyze this dispersive effect by using highorder homogenization to derive an anisotropic, dispersive effective medium. We generalize to two dimensions a homogenization approach that has been used previously for one-dimensional problems. Pseudospectral solutions of the effective medium equations agree to high accuracy with finite volume direct numerical simulations of the variable-coeffi cient equations.

  7. Thinnest two-dimensional nanomaterial-graphene for solar energy. (United States)

    Hu, Yun Hang; Wang, Hui; Hu, Bo


    Graphene is a rapidly rising star in materials science. This two-dimensional material exhibits unique properties, such as low resistance, excellent optical transmittance, and high mechanical and chemical stabilities. These exceptional advantages possess great promise for its potential applications in photovoltaic devices. In this Review, we present the status of graphene research for solar energy with emphasis on solar cells. Firstly, the preparation and properties of graphene are described. Secondly, applications of graphene as transparent conductive electrodes and counter electrodes are presented. Thirdly, graphene-based electron- (or hole) accepting materials for solar energy conversion are evaluated. Fourthly, the promoting effect of graphene on photovoltaic devices and the photocatalytic property of graphene-semiconductor composites are discussed. Finally, the challenges to increase the power conversion efficiency of graphene-based solar cells are explored.

  8. On numerical evaluation of two-dimensional phase integrals

    DEFF Research Database (Denmark)

    Lessow, H.; Rusch, W.; Schjær-Jacobsen, Hans


    The relative advantages of several common numerical integration algorithms used in computing two-dimensional phase integrals are evaluated.......The relative advantages of several common numerical integration algorithms used in computing two-dimensional phase integrals are evaluated....

  9. Perspective: Two-dimensional resonance Raman spectroscopy (United States)

    Molesky, Brian P.; Guo, Zhenkun; Cheshire, Thomas P.; Moran, Andrew M.


    Two-dimensional resonance Raman (2DRR) spectroscopy has been developed for studies of photochemical reaction mechanisms and structural heterogeneity in complex systems. The 2DRR method can leverage electronic resonance enhancement to selectively probe chromophores embedded in complex environments (e.g., a cofactor in a protein). In addition, correlations between the two dimensions of the 2DRR spectrum reveal information that is not available in traditional Raman techniques. For example, distributions of reactant and product geometries can be correlated in systems that undergo chemical reactions on the femtosecond time scale. Structural heterogeneity in an ensemble may also be reflected in the 2D spectroscopic line shapes of both reactive and non-reactive systems. In this perspective article, these capabilities of 2DRR spectroscopy are discussed in the context of recent applications to the photodissociation reactions of triiodide and myoglobin. We also address key differences between the signal generation mechanisms for 2DRR and off-resonant 2D Raman spectroscopies. Most notably, it has been shown that these two techniques are subject to a tradeoff between sensitivity to anharmonicity and susceptibility to artifacts. Overall, recent experimental developments and applications of the 2DRR method suggest great potential for the future of the technique.

  10. Janus spectra in two-dimensional flows

    CERN Document Server

    Liu, Chien-Chia; Chakraborty, Pinaki


    In theory, large-scale atmospheric flows, soap-film flows and other two-dimensional flows may host two distinct types of turbulent energy spectra---in one, $\\alpha$, the spectral exponent of velocity fluctuations, equals $3$ and the fluctuations are dissipated at the small scales, and in the other, $\\alpha=5/3$ and the fluctuations are dissipated at the large scales---but measurements downstream of obstacles have invariably revealed $\\alpha = 3$. Here we report experiments on soap-film flows where downstream of obstacles there exists a sizable interval in which $\\alpha$ has transitioned from $3$ to $5/3$ for the streamwise fluctuations but remains equal to $3$ for the transverse fluctuations, as if two mutually independent turbulent fields of disparate dynamics were concurrently active within the flow. This species of turbulent energy spectra, which we term the Janus spectra, has never been observed or predicted theoretically. Our results may open up new vistas in the study of turbulence and geophysical flows...

  11. Comparative Two-Dimensional Fluorescence Gel Electrophoresis. (United States)

    Ackermann, Doreen; König, Simone


    Two-dimensional comparative fluorescence gel electrophoresis (CoFGE) uses an internal standard to increase the reproducibility of coordinate assignment for protein spots visualized on 2D polyacrylamide gels. This is particularly important for samples, which need to be compared without the availability of replicates and thus cannot be studied using differential gel electrophoresis (DIGE). CoFGE corrects for gel-to-gel variability by co-running with the sample proteome a standardized marker grid of 80-100 nodes, which is formed by a set of purified proteins. Differentiation of reference and analyte is possible by the use of two fluorescent dyes. Variations in the y-dimension (molecular weight) are corrected by the marker grid. For the optional control of the x-dimension (pI), azo dyes can be used. Experiments are possible in both vertical and horizontal (h) electrophoresis devices, but hCoFGE is much easier to perform. For data analysis, commercial software capable of warping can be adapted.

  12. Two-Dimensional Phononic Crystals: Disorder Matters. (United States)

    Wagner, Markus R; Graczykowski, Bartlomiej; Reparaz, Juan Sebastian; El Sachat, Alexandros; Sledzinska, Marianna; Alzina, Francesc; Sotomayor Torres, Clivia M


    The design and fabrication of phononic crystals (PnCs) hold the key to control the propagation of heat and sound at the nanoscale. However, there is a lack of experimental studies addressing the impact of order/disorder on the phononic properties of PnCs. Here, we present a comparative investigation of the influence of disorder on the hypersonic and thermal properties of two-dimensional PnCs. PnCs of ordered and disordered lattices are fabricated of circular holes with equal filling fractions in free-standing Si membranes. Ultrafast pump and probe spectroscopy (asynchronous optical sampling) and Raman thermometry based on a novel two-laser approach are used to study the phononic properties in the gigahertz (GHz) and terahertz (THz) regime, respectively. Finite element method simulations of the phonon dispersion relation and three-dimensional displacement fields furthermore enable the unique identification of the different hypersonic vibrations. The increase of surface roughness and the introduction of short-range disorder are shown to modify the phonon dispersion and phonon coherence in the hypersonic (GHz) range without affecting the room-temperature thermal conductivity. On the basis of these findings, we suggest a criteria for predicting phonon coherence as a function of roughness and disorder.

  13. Asymptotics for Two-dimensional Atoms

    DEFF Research Database (Denmark)

    Nam, Phan Thanh; Portmann, Fabian; Solovej, Jan Philip


    We prove that the ground state energy of an atom confined to two dimensions with an infinitely heavy nucleus of charge $Z>0$ and $N$ quantum electrons of charge -1 is $E(N,Z)=-{1/2}Z^2\\ln Z+(E^{\\TF}(\\lambda)+{1/2}c^{\\rm H})Z^2+o(Z^2)$ when $Z\\to \\infty$ and $N/Z\\to \\lambda$, where $E^{\\TF}(\\lambd......We prove that the ground state energy of an atom confined to two dimensions with an infinitely heavy nucleus of charge $Z>0$ and $N$ quantum electrons of charge -1 is $E(N,Z)=-{1/2}Z^2\\ln Z+(E^{\\TF}(\\lambda)+{1/2}c^{\\rm H})Z^2+o(Z^2)$ when $Z\\to \\infty$ and $N/Z\\to \\lambda$, where $E......^{\\TF}(\\lambda)$ is given by a Thomas-Fermi type variational problem and $c^{\\rm H}\\approx -2.2339$ is an explicit constant. We also show that the radius of a two-dimensional neutral atom is unbounded when $Z\\to \\infty$, which is contrary to the expected behavior of three-dimensional atoms....

  14. Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs (United States)

    Mannix, Andrew J.; Zhou, Xiang-Feng; Kiraly, Brian; Wood, Joshua D.; Alducin, Diego; Myers, Benjamin D.; Liu, Xiaolong; Fisher, Brandon L.; Santiago, Ulises; Guest, Jeffrey R.; Yacaman, Miguel Jose; Ponce, Arturo; Oganov, Artem R.; Hersam, Mark C.; Guisinger, Nathan P.


    At the atomic-cluster scale, pure boron is markedly similar to carbon, forming simple planar molecules and cage-like fullerenes.Theoretical studies predict that two-dimensional (2D) boron sheets will adopt an atomic configuration similar to that of boron atomic clusters. We synthesized atomically thin, crystalline 2D boron sheets (i.e., borophene) on silver surfaces under ultrahigh-vacuum conditions. Atomic-scale characterization, supported by theoretical calculations, revealed structures reminiscent of fused boron clusters with multiple scales of anisotropic, out-of-plane buckling. Unlike bulk boron allotropes, borophene shows metallic characteristics that are consistent with predictions of a highly anisotropic, 2D metal. PMID:26680195

  15. Materials design for electrocatalytic carbon capture

    Directory of Open Access Journals (Sweden)

    Xin Tan


    Full Text Available We discuss our philosophy for implementation of the Materials Genome Initiative through an integrated materials design strategy, exemplified here in the context of electrocatalytic capture and separation of CO2 gas. We identify for a group of 1:1 X–N graphene analogue materials that electro-responsive switchable CO2 binding behavior correlates with a change in the preferred binding site from N to the adjacent X atom as negative charge is introduced into the system. A reconsideration of conductive N-doped graphene yields the discovery that the N-dopant is able to induce electrocatalytic binding of multiple CO2 molecules at the adjacent carbon sites.

  16. Electroanalysis using modified hierarchical nanoporous carbon materials. (United States)

    Rodriguez, Rusbel Coneo; Moncada, Angelica Baena; Acevedo, Diego F; Planes, Gabriel A; Miras, Maria C; Barbero, Cesar A


    The role of the electrode nanoporosity in electroanalytical processes is discussed and specific phenomena (slow double layer charging, local pH effects) which can be present in porous electrode are described. Hierarchical porous carbon (HPC) materials are synthesized using a hard template method. The three dimensional carbon porosity is examined using scanning electron microscopy on flat surfaces cut using a focused ion beam (FIB-SEM). The electrochemical properties of the HPC are measured using cyclic voltammetry, AC impedance, chronoamperometry and Probe Beam Deflection (PBD) techniques. Chronoamperometry measurements of HPC seems to fit a transmission line model. PBD data show evidence of local pH changes inside the pores, during double layer charging. The HPC are modified by in situ (chemical or electrochemical) formation of metal (Pt/Ru) or metal oxide (CoOx, Fe3O4) nanoparticles. Additionally, HPC loaded with Pt decorated magnetite (Fe3O4) nanoparticles is produced by galvanic displacement. The modified HPC materials are used for the electroanalysis of different substances (CO, O2, AsO3(-3)). The role of the nanoporous carbon substrate in the electroanalytical data is evaluated.

  17. Advanced Thermal Protection Systems (ATPS), Aerospace Grade Carbon Bonded Carbon Fiber Material Project (United States)

    National Aeronautics and Space Administration — Carbon bonded carbon fiber (CBCF) insulating material is the basis for several highly successful NASA developed thermal protection systems (TPS). Included among...

  18. Advanced Thermal Protection Systems (ATPS), Aerospace Grade Carbon Bonded Carbon Fiber Material Project (United States)

    National Aeronautics and Space Administration — Carbon bonded carbon fiber (CBCF) insulating material is the basis for several highly successful NASA developed thermal protection systems (TPS). Among the...

  19. Coal liquefaction process streams characterization and evaluation. Characterization of coal-derived materials by field desorption mass spectrometry, two-dimensional nuclear magnetic resonance, supercritical fluid extraction, and supercritical fluid chromatography/mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Campbell, J.A.; Linehan, J.C.; Robins, W.H. [Battelle Pacific Northwest Lab., Richland, WA (United States)


    Under contract from the DOE , and in association with CONSOL Inc., Battelle, Pacific Northwest Laboratory (PNL) evaluated four principal and several complementary techniques for the analysis of non-distillable direct coal liquefaction materials in support of process development. Field desorption mass spectrometry (FDMS) and nuclear magnetic resonance (NMR) spectroscopic methods were examined for potential usefulness as techniques to elucidate the chemical structure of residual (nondistillable) direct coal liquefaction derived materials. Supercritical fluid extraction (SFE) and supercritical fluid chromatography/mass spectrometry (SFC/MS) were evaluated for effectiveness in compound-class separation and identification of residual materials. Liquid chromatography (including microcolumn) separation techniques, gas chromatography/mass spectrometry (GC/MS), mass spectrometry/mass spectrometry (MS/MS), and GC/Fourier transform infrared (FTIR) spectroscopy methods were applied to supercritical fluid extracts. The full report authored by the PNL researchers is presented here. The following assessment briefly highlights the major findings of the project, and evaluates the potential of the methods for application to coal liquefaction materials. These results will be incorporated by CONSOL into a general overview of the application of novel analytical techniques to coal-derived materials at the conclusion of CONSOL`s contract.

  20. Finite amplitude waves in two-dimensional lined ducts (United States)

    Nayfeh, A. H.; Tsai, M.-S.


    A second-order uniform expansion is obtained for nonlinear wave propagation in a two-dimensional duct lined with a point-reacting acoustic material consisting of a porous sheet followed by honeycomb cavities and backed by the impervious wall of the duct. The waves in the duct are coupled with those in the porous sheet and the cavities. An analytical expression is obtained for the absorption coefficient in terms of the sound frequency, the physical properties of the porous sheet, and the geometrical parameters of the flow configuration. The results show that the nonlinearity flattens and broadens the absorption vs. frequency curve, irrespective of the geometrical dimensions or the porous material acoustic properties, in agreement with experimental observations.

  1. Flat Chern band in a two-dimensional organometallic framework. (United States)

    Liu, Zheng; Wang, Zheng-Fei; Mei, Jia-Wei; Wu, Yong-Shi; Liu, Feng


    By combining exotic band dispersion with nontrivial band topology, an interesting type of band structure, namely, the flat Chern band, has recently been proposed to spawn high-temperature fractional quantum Hall states. Despite the proposal of several theoretical lattice models, however, it remains doubtful whether such a "romance of flatland" could exist in a real material. Here, we present a first-principles design of a two-dimensional indium-phenylene organometallic framework that realizes a nearly flat Chern band right around the Fermi level by combining lattice geometry, spin-orbit coupling, and ferromagnetism. An effective four-band model is constructed to reproduce the first-principles results. Our design, in addition, provides a general strategy to synthesize topologically nontrivial materials by virtue of organic chemistry and nanotechnology.

  2. Experimental evidence for a two-dimensional quantized Hall insulator (United States)

    Hilke, M.; Shahar, D.; Song, S. H.; Tsui, D. C.; Xie, Y. H.; Monroe, Don


    The general theoretical definition of an insulator is a material in which the conductivity vanishes at the absolute zero of temperature. In classical insulators, such as materials with a band gap, vanishing conductivities lead to diverging resistivities. But other insulators can show more complex behaviour, particularly in the presence of a high magnetic field, where different components of the resistivity tensor can display different behaviours: the magnetoresistance diverges as the temperature approaches absolute zero, but the transverse (Hall) resistance remains finite. Such a system is known as a Hall insulator. Here we report experimental evidence for a quantized Hall insulator in a two-dimensional electron system-confined in a semiconductor quantum well. The Hall resistance is quantized in the quantum unit of resistance h/e2, where h is Planck's constant and e the electronic charge. At low fields, the sample reverts to being a normal Hall insulator.

  3. Two-Dimensional Hexagonal Transition-Metal Oxide for Spintronics. (United States)

    Kan, Erjun; Li, Ming; Hu, Shuanglin; Xiao, Chuanyun; Xiang, Hongjun; Deng, Kaiming


    Two-dimensional materials have been the hot subject of studies due to their great potential in applications. However, their applications in spintronics have been blocked by the difficulty in producing ordered spin structures in 2D structures. Here we demonstrated that the ultrathin films of recently experimentally realized wurtzite MnO can automatically transform into a stable graphitic structure with ordered spin arrangement via density functional calculation, and the stability of graphitic structure can be enhanced by external strain. Moreover, the antiferromagnetic ordering of graphitic MnO single layer can be switched into half-metallic ferromagnetism by small hole-doping, and the estimated Curie temperature is higher than 300 K. Thus, our results highlight a promising way toward 2D magnetic materials.

  4. Interaction of two-dimensional magnetoexcitons (United States)

    Dumanov, E. V.; Podlesny, I. V.; Moskalenko, S. A.; Liberman, M. A.


    We study interaction of the two-dimensional magnetoexcitons with in-plane wave vector k→∥ = 0 , taking into account the influence of the excited Landau levels (ELLs) and of the external electric field perpendicular to the surface of the quantum well and parallel to the external magnetic field. It is shown that the account of the ELLs gives rise to the repulsion between the spinless magnetoexcitons with k→∥ = 0 in the Fock approximation, with the interaction constant g decreasing inverse proportional to the magnetic field strength B (g (0) ∼ 1 / B) . In the presence of the perpendicular electric field the Rashba spin-orbit coupling (RSOC), Zeeman splitting (ZS) and nonparabolicity of the heavy-hole dispersion law affect the Landau quantization of the electrons and holes. They move along the new cyclotron orbits, change their Coulomb interactions and cause the interaction between 2D magnetoexcitons with k→∥ = 0 . The changes of the Coulomb interactions caused by the electrons and by the holes moving with new cyclotron orbits are characterized by some coefficients, which in the absence of the electric field turn to be unity. The differences between these coefficients of the electron-hole pairs forming the magnetoexcitons determine their affinities to the interactions. The interactions between the homogeneous, semihomogeneous and heterogeneous magnetoexcitons forming the symmetric states with the same signs of their affinities are attractive whereas in the case of different sign affinities are repulsive. In the heterogeneous asymmetric states the interactions have opposite signs in comparison with the symmetric states. In all these cases the interaction constant g have the dependence g (0) 1 /√{ B} .

  5. Quantum creep in a highly crystalline two-dimensional superconductor (United States)

    Saito, Yu; Kasahara, Yuichi; Ye, Jianting; Iwasa, Yoshihiro; Nojima, Tsutomu

    Conventional studies on quantum phase transitions, especially on superconductor-insulator or superconductor-metal-insulator transitions have been performed in deposited metallic thin films such as Bismuth or MoGe. Although the techniques of thin films deposition have been considerably improved, unintentional disorder such as impurities and deficiencies, generating the pinning centers, seems to still exist in such systems. The mechanical exfoliated highly crystalline two-dimensional material can be a good candidate to realize a less-disordered 2D superconductor with extremely weak pinning, combined with transfer method or ionic-liquid gating. We report on the quantum metal, namely, magnetic-field-induced metallic state observed in an ion-gated two-dimensional superconductor based on an ultra-highly crystalline layered band insulator, ZrNCl. We found that the superconducting state is extremely fragile against external magnetic fields; that is, zero resistance state immediately disappears, once an external magnetic field switches on. This is because the present system is relatively clean and the pinning potential is extremely weak, which cause quantum tunneling and flux flow of vortices, resulting in metallic ground state.

  6. Two-dimensional nuclear magnetic resonance of quadrupolar systems

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Shuanhu


    This dissertation describes two-dimensional nuclear magnetic resonance theory and experiments which have been developed to study quadruples in the solid state. The technique of multiple-quantum magic-angle spinning (MQMAS) is extensively reviewed and expanded upon in this thesis. Specifically, MQMAS is first compared with another technique, dynamic-angle spinning (DAS). The similarity between the two techniques allows us to extend much of the DAS work to the MQMAS case. Application of MQMAS to a series of aluminum containing materials is then presented. The superior resolution enhancement through MQMAS is exploited to detect the five- and six-coordinated aluminum in many aluminosilicate glasses. Combining the MQMAS method with other experiments, such as HETCOR, greatly expands the possibility of the use of MQMAS to study a large range of problems and is demonstrated in Chapter 5. Finally, the technique switching-angle spinning (SAS) is applied to quadrupolar nuclei to fully characterize a quadrupolar spin system in which all of the 8 NMR parameters are accurately determined. This dissertation is meant to demonstrate that with the combination of two-dimensional NMR concepts and new advanced spinning technologies, a series of multiple-dimensional NMR techniques can be designed to allow a detailed study of quadrupolar nuclei in the solid state.

  7. Unpacking of a Crumpled Wire from Two-Dimensional Cavities.

    Directory of Open Access Journals (Sweden)

    Thiago A Sobral

    Full Text Available The physics of tightly packed structures of a wire and other threadlike materials confined in cavities has been explored in recent years in connection with crumpled systems and a number of topics ranging from applications to DNA packing in viral capsids and surgical interventions with catheter to analogies with the electron gas at finite temperature and with theories of two-dimensional quantum gravity. When a long piece of wire is injected into two-dimensional cavities, it bends and originates in the jammed limit a series of closed structures that we call loops. In this work we study the extraction of a crumpled tightly packed wire from a circular cavity aiming to remove loops individually. The size of each removed loop, the maximum value of the force needed to unpack each loop, and the total length of the extracted wire were measured and related to an exponential growth and a mean field model consistent with the literature of crumpled wires. Scaling laws for this process are reported and the relationship between the processes of packing and unpacking of wire is commented upon.

  8. Comprehensive two-dimensional liquid chromatographic analysis of poloxamers. (United States)

    Malik, Muhammad Imran; Lee, Sanghoon; Chang, Taihyun


    Poloxamers are low molar mass triblock copolymers of poly(ethylene oxide) (PEO) and poly(propylene oxide) (PPO), having number of applications as non-ionic surfactants. Comprehensive one and two-dimensional liquid chromatographic (LC) analysis of these materials is proposed in this study. The separation of oligomers of both types (PEO and PPO) is demonstrated for several commercial poloxamers. This is accomplished at the critical conditions for one of the block while interaction for the other block. Reversed phase LC at CAP of PEO allowed for oligomeric separation of triblock copolymers with regard to PPO block whereas normal phase LC at CAP of PPO renders oligomeric separation with respect to PEO block. The oligomeric separation with regard to PEO and PPO are coupled online (comprehensive 2D-LC) to reveal two-dimensional contour plots by unconventional 2D IC×IC (interaction chromatography) coupling. The study provides chemical composition mapping of both PEO and PPO, equivalent to combined molar mass and chemical composition mapping for several commercial poloxamers.

  9. Unpacking of a Crumpled Wire from Two-Dimensional Cavities. (United States)

    Sobral, Thiago A; Gomes, Marcelo A F; Machado, Núbia R; Brito, Valdemiro P


    The physics of tightly packed structures of a wire and other threadlike materials confined in cavities has been explored in recent years in connection with crumpled systems and a number of topics ranging from applications to DNA packing in viral capsids and surgical interventions with catheter to analogies with the electron gas at finite temperature and with theories of two-dimensional quantum gravity. When a long piece of wire is injected into two-dimensional cavities, it bends and originates in the jammed limit a series of closed structures that we call loops. In this work we study the extraction of a crumpled tightly packed wire from a circular cavity aiming to remove loops individually. The size of each removed loop, the maximum value of the force needed to unpack each loop, and the total length of the extracted wire were measured and related to an exponential growth and a mean field model consistent with the literature of crumpled wires. Scaling laws for this process are reported and the relationship between the processes of packing and unpacking of wire is commented upon.

  10. Carbon nanotube materials for hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Dillon, A.C.; Parilla, P.A.; Jones, K.M.; Riker, G.; Heben, M.J. [National Renewable Energy Lab., Golden, CO (United States)


    Carbon single-wall nanotubes (SWNTs) are essentially elongated pores of molecular dimensions and are capable of adsorbing hydrogen at relatively high temperatures and low pressures. This behavior is unique to these materials and indicates that SWNTs are the ideal building block for constructing safe, efficient, and high energy density adsorbents for hydrogen storage applications. In past work the authors developed methods for preparing and opening SWNTs, discovered the unique adsorption properties of these new materials, confirmed that hydrogen is stabilized by physical rather than chemical interactions, measured the strength of interaction to be {approximately} 5 times higher than for adsorption on planar graphite, and performed infrared absorption spectroscopy to determine the chemical nature of the surface terminations before, during, and after oxidation. This year the authors have made significant advances in synthesis and characterization of SWNT materials so that they can now prepare gram quantities of high-purity SWNT samples and measure and control the diameter distribution of the tubes by varying key parameters during synthesis. They have also developed methods which purify nanotubes and cut nanotubes into shorter segments. These capabilities provide a means for opening the tubes which were unreactive to the oxidation methods that successfully opened tubes, and offer a path towards organizing nanotube segments to enable high volumetric hydrogen storage densities. They also performed temperature programmed desorption spectroscopy on high purity carbon nanotube material obtained from collaborator Prof. Patrick Bernier and finished construction of a high precision Seivert`s apparatus which will allow the hydrogen pressure-temperature-composition phase diagrams to be evaluated for SWNT materials.

  11. Carbon nanotube materials for hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Dillon, A.C.; Jones, K.M.; Heben, M.J. [National Renewable Energy Lab., Golden, CO (United States)


    Hydrogen burns pollution-free and may be produced from renewable energy resources. It is therefore an ideal candidate to replace fossil fuels as an energy carrier. However, the lack of a convenient and cost-effective hydrogen storage system greatly impedes the wide-scale use of hydrogen in both domestic and international markets. Although several hydrogen storage options exist, no approach satisfies all of the efficiency, size, weight, cost and safety requirements for transportation or utility use. A material consisting exclusively of micropores with molecular dimensions could simultaneously meet all of the requirements for transportation use if the interaction energy for hydrogen was sufficiently strong to cause hydrogen adsorption at ambient temperatures. Small diameter ({approx}1 mm) carbon single-wall nanotubes (SWNTs) are elongated micropores of molecular dimensions, and materials composed predominantly of SWNTs may prove to be the ideal adsorbent for ambient temperature storage of hydrogen. Last year the authors reported that hydrogen could be adsorbed on arc-generated soots containing 12{Angstrom} diameter nanotubes at temperatures in excess of 285K. In this past year they have learned that such adsorption does not occur on activated carbon materials, and that the cobalt nanoparticles present in their arc-generated soots are not responsible for the hydrogen which is stable at 285 K. These results indicate that enhanced adsorption forces within the internal cavities of the SWNTs are active in stabilizing hydrogen at elevated temperatures. This enhanced stability could lead to effective hydrogen storage under ambient temperature conditions. In the past year the authors have also demonstrated that single-wall carbon nanotubes in arc-generated soots may be selectively opened by oxidation in H{sub 2}O resulting in improved hydrogen adsorption, and they have estimated experimentally that the amount of hydrogen stored is {approximately}10% of the nanotube weight.

  12. SCAPS, a two-dimensional ion detector for mass spectrometer (United States)

    Yurimoto, Hisayoshi


    Faraday Cup (FC) and electron multiplier (EM) are of the most popular ion detector for mass spectrometer. FC is used for high-count-rate ion measurements and EM can detect from single ion. However, FC is difficult to detect lower intensities less than kilo-cps, and EM loses ion counts higher than Mega-cps. Thus, FC and EM are used complementary each other, but they both belong to zero-dimensional detector. On the other hand, micro channel plate (MCP) is a popular ion signal amplifier with two-dimensional capability, but additional detection system must be attached to detect the amplified signals. Two-dimensional readout for the MCP signals, however, have not achieve the level of FC and EM systems. A stacked CMOS active pixel sensor (SCAPS) has been developed to detect two-dimensional ion variations for a spatial area using semiconductor technology [1-8]. The SCAPS is an integrated type multi-detector, which is different from EM and FC, and is composed of more than 500×500 pixels (micro-detectors) for imaging of cm-area with a pixel of less than 20 µm in square. The SCAPS can be detected from single ion to 100 kilo-count ions per one pixel. Thus, SCAPS can be accumulated up to several giga-count ions for total pixels, i.e. for total imaging area. The SCAPS has been applied to stigmatic ion optics of secondary ion mass spectrometer, as a detector of isotope microscope [9]. The isotope microscope has capabilities of quantitative isotope images of hundred-micrometer area on a sample with sub-micrometer resolution and permil precision, and of two-dimensional mass spectrum on cm-scale of mass dispersion plane of a sector magnet with ten-micrometer resolution. The performance has been applied to two-dimensional isotope spatial distribution for mainly hydrogen, carbon, nitrogen and oxygen of natural (extra-terrestrial and terrestrial) samples and samples simulated natural processes [e.g. 10-17]. References: [1] Matsumoto, K., et al. (1993) IEEE Trans. Electron Dev. 40

  13. Optical Spectroscopy of Two Dimensional Graphene and Boron Nitride (United States)

    Ju, Long

    This dissertation describes the use of optical spectroscopy in studying the physical properties of two dimensional nano materials like graphene and hexagonal boron nitride. Compared to bulk materials, atomically thin two dimensional materials have a unique character that is the strong dependence of physical properties on external control. Both electronic band structure and chemical potential can be tuned in situ by electric field-which is a powerful knob in experiment. Therefore the optical study at atomic thickness scale can greatly benefit from modern micro-fabrication technique and electric control of the material properties. As will be shown in this dissertation, such control of both gemometric and physical properties enables new possibilities of optical spectroscopic measurement as well as opto-electronic studies. Other experimental techniques like electric transport and scanning tunneling microscopy and spectroscopy are also combined with optical spectroscopy to reveal the physics that is beyond the reach of each individual technique. There are three major themes in the dissertation. The first one is focused on the study of plasmon excitation of Dirac electrons in monolayer graphene. Unlike plasmons in ordinary two dimensional electron gas, plasmons of 2D electrons as in graphene obey unusual scaling laws. We fabricate graphene micro-ribbon arrays with photolithography technique and use optical absorption spectroscopy to study its absorption spectrum. The experimental result demonstrates the extraordinarily strong light-plasmon coupling and its novel dependence on both charge doping and geometric dimensions. This work provides a first glance at the fundamental properties of graphene plasmons and forms the basis of an emerging subfield of graphene research and applications such as graphene terahertz metamaterials. The second part describes the opto-electronic response of heterostructures composed of graphene and hexagonal boron nitride. We found that there is

  14. Graphene-carbon nanotube hybrid materials and use as electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Tour, James M.; Zhu, Yu; Li, Lei; Yan, Zheng; Lin, Jian


    Provided are methods of making graphene-carbon nanotube hybrid materials. Such methods generally include: (1) associating a graphene film with a substrate; (2) applying a catalyst and a carbon source to the graphene film; and (3) growing carbon nanotubes on the graphene film. The grown carbon nanotubes become covalently linked to the graphene film through carbon-carbon bonds that are located at one or more junctions between the carbon nanotubes and the graphene film. In addition, the grown carbon nanotubes are in ohmic contact with the graphene film through the carbon-carbon bonds at the one or more junctions. The one or more junctions may include seven-membered carbon rings. Also provided are the formed graphene-carbon nanotube hybrid materials.

  15. Graphene-carbon nanotube hybrid materials and use as electrodes (United States)

    Tour, James M.; Zhu, Yu; Li, Lei; Yan, Zheng; Lin, Jian


    Provided are methods of making graphene-carbon nanotube hybrid materials. Such methods generally include: (1) associating a graphene film with a substrate; (2) applying a catalyst and a carbon source to the graphene film; and (3) growing carbon nanotubes on the graphene film. The grown carbon nanotubes become covalently linked to the graphene film through carbon-carbon bonds that are located at one or more junctions between the carbon nanotubes and the graphene film. In addition, the grown carbon nanotubes are in ohmic contact with the graphene film through the carbon-carbon bonds at the one or more junctions. The one or more junctions may include seven-membered carbon rings. Also provided are the formed graphene-carbon nanotube hybrid materials.

  16. Report on Carbon Nano Material Workshop: Challenges and Opportunities (United States)


    Lubricating Grease Thickened by Carbon Nanotubes, presented at Carbon Nano Materials and Applications Workshop, Rapid City, SD, October 31–November 1...Carbon Nano Material Workshop: Challenges and Opportunities S. Acharya a , J. Alvarado b , D. Banerjee b , W. E. Billups c , G. Chen d , B. A. Cola e...Carbon Nano Material Workshop: Challenges and Opportunities 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d

  17. 考虑破碎的堆石料二维颗粒流数值模拟%Numerical simulation of two-dimensional particle flow in broken rockfill materials

    Institute of Scientific and Technical Information of China (English)

    韩洪兴; 陈伟; 邱子锋; 傅旭东


    Rockfill materials are easily broken under external force. Based on the single particle crushing mechanism, the indestructible defect is simulated in particle of rockfill materials depending on the generated particles cluster units to overcome rigid circular particle. A broken numerical model for particle of rockfill materials is established by adopting the linear contact model. Indoor plane strain tests are simulated. The internal contact force, micro crack and a variety of energy changes in rockfill materials are analyzed under the loading process. The breakage mechanism for particle of rockfill materials is investigated. The results show that the numerical sample generated by particle clusters can more truly reflect the breakage of particle of rockfill materials through the internal bond strength fracture. The breakage of particle of rockfill materials occurs first in the large particle size and contact force larger particles, then gradually to direction of the maximum pressure, finally shear fracture sliding plane is generated. The number of shear micro crack is greater than that of tensile micro crack throughout the whole loading process, the particle breakage mainly is shear failure, and a lot of particle breakage is produced near the peak point. The total input energy stores in particle cluster in the form of elastic strain energy under small deformation. The elastic strain energy can be converted to other forms of energy dissipation in the form of storage release under large deformation. The research results can provide reference for the study on the deformation of rockfill dams.%堆石料在外力作用下极易发生破碎,基于单颗粒破碎机制,依靠生成的颗粒簇单元克服刚性圆形颗粒模拟堆石料颗粒不能破碎的缺陷,采用线性接触模型建立堆石料颗粒破碎的数值模型。模拟室内平面应变试验,分析堆石料在整个加载过程中内部接触力、微裂纹和各种能量的变化,探讨堆


    Institute of Scientific and Technical Information of China (English)

    黄毓; 刘书田


    Periodic materials or structures own the capability of attenuating wave propagation over certain frequency bands, which is called band-gap characteristics, and the materials can be reasonably designed to adjust the location and width of band gaps. With the great potential applications such as filters, wave guides and sound or vibration isolation, the effect of the configuration in microstructure on the band-gap characteristics is investigated. First, the band-gap behaviors of elastic wave and the attenuation characteristics in localization in seven 2D periodic lattice topologies, namely triangular honeycomb, square honeycomb, ground honeycomb,hexagonal honeycomb, auxetic honeycomb, Kagome honeycomb and diamond honeycomb, are analyzed and compared. Objective function to measure low and wide band-gap character is proposed, and the optimal bandgap material is then selected. Furthermore, the laws of geometry configuration parameters affecting on the band-gap characteristics are obtained and numerically demonstrated. The techniques developed in this work can be applied in design periodic band-gap materials by adjusting geometry configurations in the microstructure.%周期性材料或结构常表现出阻断特定频段的波传播的特异性质(带隙性质),通过合理设计可以调整带隙的位置和带宽等,带隙材料在滤波、导波、隔音、隔振等方面有巨大的应用潜力.据此背景,研究了材料微结构构型对带隙性质的影响.分析和比较了三角形、米字形、四边形、六边形、反六边形、Kagome形和钻石形等7种典型拓扑构形格栅材料的带隙性质与弹性波在其中的局部衰减特性,提出了可表征特定带隙性质的目标函数,从而对不同构型的材料进行选优;进一步得到并数值验证了材料微结构中几何参数对带隙性质的影响规律,为通过改变构型几何参数设计具有特定性质的带隙材料提供参考.

  19. Computational evaluation of optoelectronic properties for organic/carbon materials. (United States)

    Shuai, Zhigang; Wang, Dong; Peng, Qian; Geng, Hua


    CONSPECTUS: Organic optoelectronic materials are used in a variety of devices, including light-emitting diodes, field-effect transistors, photovoltaics, thermoelectrics, spintronics, and chemico- and biosensors. The processes that determine the intrinsic optoelectronic properties occur either in the photoexcited states or within the electron-pumped charged species, and computations that predict these optical and electrical properties would help researchers design new materials. In this Account, we describe recent advances in related density functional theory (DFT) methods and present case studies that examine the efficiency of light emission, carrier mobility, and thermoelectric figures of merit by calculation of the electron-vibration couplings. First we present a unified vibrational correlation function formalism to evaluate the excited-state radiative decay rate constant kr, the nonradiative decay rate constant knr, the intersystem crossing rate constant kISC, and the optical spectra. The molecular parameters that appear in the formalism, such as the electronic excited-state energy, vibrational modes, and vibronic couplings, require extensive DFT calculations. We used experiments for anthracene at both low and ambient temperatures to benchmark the calculated photophysical parameters. In the framework of Fermi's golden rule, we incorporated the non-adiabatic coupling and the spin-orbit coupling to evaluate the phosphorescence efficiency and emission spectrum. Both of these are in good agreement with experimental results for anthracene and iridium compounds. Band electron scattering and relaxation processes within Boltzmann theory can describe charge transport in two-dimensional carbon materials and closely packed organic solids. For simplicity, we considered only the acoustic phonon scattering as modeled by the deformation potential approximation coupled with extensive DFT calculations for band structures. We then related the carrier mobility to the band

  20. Topology in two-dimensional systems

    NARCIS (Netherlands)

    Beukman, A.J.A.


    This thesis includes two research directions both aim to discover a building block for topological quantum computing. First, in Chapter 3, a novel setup is designed, built, and tested, that can electrostatically gate a material without endangering the materials pristine quality. The setup was design

  1. Topology in two-dimensional systems

    NARCIS (Netherlands)

    Beukman, A.J.A.


    This thesis includes two research directions both aim to discover a building block for topological quantum computing. First, in Chapter 3, a novel setup is designed, built, and tested, that can electrostatically gate a material without endangering the materials pristine quality. The setup was design

  2. In vivo adsorption study of fluoxetine using carbon materials,


    Nabais, Joao; Tinoco, Teresa; Morais, Julio


    The in vivo adsorption of fluoxetine by a commercial activated carbon and a laboratory prepared activated carbon fibre were studied. The results showthat the carbon materials tested are not toxic toWistar rats and both materials had a high efficacy in the in vivo adsorption of fluoxetine preventing toxicity of the drug overdose administered to the animals.

  3. Fermionic boundary modes in two-dimensional noncentrosymmetric superconductors (United States)

    Samokhin, K. V.; Mukherjee, S. P.


    We calculate the spectrum of the Andreev boundary modes in a two-dimensional superconductor formed at an interface between two different nonsuperconducting materials, e.g., insulating oxides. Inversion symmetry is absent in this system, and both the electron band structure and the superconducting pairing are strongly affected by the spin-orbit coupling of the Rashba type. We consider isotropic s -wave pairing states, both with and without time-reversal symmetry breaking, as well as various d -wave states. In all cases, there exist subgap Andreev boundary states, whose properties, in particular, the number and location of the zero-energy modes, qualitatively depend on the gap symmetry and the spin-orbit coupling strength.

  4. Band structure of absorptive two-dimensional photonic crystals (United States)

    van der Lem, Han; Tip, Adriaan; Moroz, Alexander


    The band structure for an absorptive two-dimensional photonic crystal made from cylinders consisting of a Drude material is calculated. Absorption causes the spectrum to become complex and form islands in the negative complex half-plane. The boundaries of these islands are not always formed by the eigenvalues calculated for Bloch vectors on the characteristic path, and we find a hole in the spectrum. For realistic parameter values, the real part of the spectrum is hardly influenced by absorption, typically less than 0.25%. The employed method uses a Korringa-Kohn-Rostoker procedure together with analytical continuation. This results in an efficient approach that allows these band-structure calculations to be done on a Pentium III personal computer.

  5. Oriented Two-Dimensional Porous Organic Cage Crystals. (United States)

    Jiang, Shan; Song, Qilei; Massey, Alan; Chong, Samantha Y; Chen, Linjiang; Sun, Shijing; Hasell, Tom; Raval, Rasmita; Sivaniah, Easan; Cheetham, Anthony K; Cooper, Andrew I


    The formation of two-dimensional (2D) oriented porous organic cage crystals (consisting of imine-based tetrahedral molecules) on various substrates (such as silicon wafers and glass) by solution-processing is reported. Insight into the crystallinity, preferred orientation, and cage crystal growth was obtained by experimental and computational techniques. For the first time, structural defects in porous molecular materials were observed directly and the defect concentration could be correlated with crystal growth rate. These oriented crystals suggest potential for future applications, such as solution-processable molecular crystalline 2D membranes for molecular separations. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  6. Coherent two-dimensional spectroscopy of a Fano model

    CERN Document Server

    Poulsen, Felipe; Pullerits, Tõnu; Hansen, Thorsten


    The Fano lineshape arises from the interference of two excitation pathways to reach a continuum. Its generality has resulted in a tremendous success in explaining the lineshapes of many one-dimensional spectroscopies - absorption, emission, scattering, conductance, photofragmentation - applied to very varied systems - atoms, molecules, semiconductors and metals. Unravelling a spectroscopy into a second dimension reveals the relationship between states in addition to decongesting the spectra. Femtosecond-resolved two-dimensional electronic spectroscopy (2DES) is a four-wave mixing technique that measures the time-evolution of the populations, and coherences of excited states. It has been applied extensively to the dynamics of photosynthetic units, and more recently to materials with extended band-structures. In this letter, we solve the full time-dependent third-order response, measured in 2DES, of a Fano model and give the new system parameters that become accessible.

  7. Proximity Induced Superconducting Properties in One and Two Dimensional Semiconductors

    DEFF Research Database (Denmark)

    Kjærgaard, Morten

    a voltage is passed through the Josephson junction, we observe multiple Andreev reflections and preliminary results point to a highly transmissive interface between the 2D electron gas and the superconductor. In the theoretical section we demonstrate analytically and numerically, that in a 1D nanowire......This report is concerned with the properties of one and two dimensional semiconducting materials when brought into contact with a superconductor. Experimentally we study the 2D electron gas in an InGaAs/InAs heterostructure with aluminum grown in situ on the surface, and theoretically we show...... that a superconducting 1D nanowire can harbor Majorana bound states in the absence of spin–orbit coupling. We fabricate and measure micrometer–sized mesoscopic devices demonstrating the inheritance of superconducting properties in the 2D electron gas. By placing a quantum point contact proximal to the interface between...

  8. Anisotropic electronic conduction in stacked two-dimensional titanium carbide (United States)

    Hu, Tao; Zhang, Hui; Wang, Jiemin; Li, Zhaojin; Hu, Minmin; Tan, Jun; Hou, Pengxiang; Li, Feng; Wang, Xiaohui


    Stacked two-dimensional titanium carbide is an emerging conductive material for electrochemical energy storage which requires an understanding of the intrinsic electronic conduction. Here we report the electronic conduction properties of stacked Ti3C2T2 (T = OH, O, F) with two distinct stacking sequences (Bernal and simple hexagonal). On the basis of first-principles calculations and energy band theory analysis, both stacking sequences give rise to metallic conduction with Ti 3d electrons contributing most to the conduction. The conduction is also significantly anisotropic due to the fact that the effective masses of carriers including electrons and holes are remarkably direction-dependent. Such an anisotropic electronic conduction is evidenced by the I-V curves of an individual Ti3C2T2 particulate, which demonstrates that the in-plane electrical conduction is at least one order of magnitude higher than that vertical to the basal plane.

  9. Two Dimensional Heat Transfer around Penetrations in Multilayer Insulation (United States)

    Johnson, Wesley L.; Kelly, Andrew O.; Jumper, Kevin M.


    The objective of this task was to quantify thermal losses involving integrating MLI into real life situations. Testing specifically focused on the effects of penetrations (including structural attachments, electrical conduit/feedthroughs, and fluid lines) through MLI. While there have been attempts at quantifying these losses both analytically and experimentally, none have included a thorough investigation of the methods and materials that could be used in such applications. To attempt to quantify the excess heat load coming into the system due to the integration losses, a calorimeter was designed to study two dimensional heat transfer through penetrated MLI. The test matrix was designed to take as many variables into account as was possible with the limited test duration and system size. The parameters varied were the attachment mechanism, the buffer material (for buffer attachment mechanisms only), the thickness of the buffer, and the penetration material. The work done under this task is an attempt to measure the parasitic heat loads and affected insulation areas produced by system integration, to model the parasitic loads, and from the model produce engineering equations to allow for the determination of parasitic heat loads in future applications. The methods of integration investigated were no integration, using a buffer to thermally isolate the strut from the MLI, and temperature matching the MLI on the strut. Several materials were investigated as a buffer material including aerogel blankets, aerogel bead packages, cryolite, and even an evacuated vacuum space (in essence a no buffer condition).

  10. Two dimensional simulation of high power laser-surface interaction

    Energy Technology Data Exchange (ETDEWEB)

    Goldman, S.R.; Wilke, M.D.; Green, R.E.L.; Johnson, R.P. [Los Alamos National Lab., NM (United States); Busch, G.E. [KMS Fusion, Inc., Ann Arbor, MI (United States)


    For laser intensities in the range of 10{sup 8}--10{sup 9} W/cm{sup 2}, and pulse lengths of order 10 {micro}sec or longer, the authors have modified the inertial confinement fusion code Lasnex to simulate gaseous and some dense material aspects of the laser-matter interaction. The unique aspect of their treatment consists of an ablation model which defines a dense material-vapor interface and then calculates the mass flow across this interface. The model treats the dense material as a rigid two-dimensional mass and heat reservoir suppressing all hydrodynamic motion in the dense material. The computer simulations and additional post-processors provide predictions for measurements including impulse given to the target, pressures at the target interface, electron temperatures and densities in the vapor-plasma plume region, and emission of radiation from the target. The authors will present an analysis of some relatively well diagnosed experiments which have been useful in developing their modeling. The simulations match experimentally obtained target impulses, pressures at the target surface inside the laser spot, and radiation emission from the target to within about 20%. Hence their simulational technique appears to form a useful basis for further investigation of laser-surface interaction in this intensity, pulse-width range. This work is useful in many technical areas such as materials processing.

  11. Three-dimensional helical carbon materials: Microcoiled carbon fibers, carbon nanocoils, carbon nanotubes: Synthesis, properties and applications (United States)

    Xie, Jining

    Materials with a 3D-helical/spiral-structure in micron size have recently aroused a great deal of interests because of their helical morphology and unique properties. However, materials with a 3D helical structure are not commonly observed among industrially available materials. Researchers have been trying to synthesize various micro- and nano-sized 3D helical materials and are exploring the mechanisms, nature, and properties of these materials. Yet a systematic study on 3D helical carbon materials in micro- and nano-size has been missing. This research work is intended as a first step to fill this gap. Among various 3D helical materials, carbon element has stimulated great interests. Micro coiled carbon fibers, carbon nanocoils, and carbon nanotubes are major types of 3D helical carbon materials ranging from micron to nano size. Synthesis of these 3D helical carbon materials by a catalytic chemical vapor deposition method is presented in this thesis. It involves a pyrolysis of hydrocarbon gas (e.g. acetylene) over transition metals, such as Ni, Fe, and Co, at high reaction temperature (500--1000°C). Besides the conventional thermal filament chemical vapor deposition method, a novel microwave chemical vapor deposition (MWCVD) method has been developed to synthesize micro- and nano-sized 3D helical carbon materials economically. The faster heating and cooling processes associated with microwave CVD have potential for large-scale production in the near future. Compared with previously reported microwave plasma enhanced chemical vapor deposition (MWPECVD) method, this method does not require high vacuum and much higher deposition rate is another major advantage. It has been found in this work that microwave plays an important role on coil morphology formation for micro coiled carbon fibers and carbon nanocoils. The large temperature gradient around the catalytic particles could be the reason. Different reaction factors have been checked to optimize the deposition

  12. The convolution theorem for two-dimensional continuous wavelet transform

    Institute of Scientific and Technical Information of China (English)



    In this paper , application of two -dimensional continuous wavelet transform to image processes is studied. We first show that the convolution and correlation of two continuous wavelets satisfy the required admissibility and regularity conditions ,and then we derive the convolution and correlation theorem for two-dimensional continuous wavelet transform. Finally, we present numerical example showing the usefulness of applying the convolution theorem for two -dimensional continuous wavelet transform to perform image restoration in the presence of additive noise.

  13. Surface and Interface Engineering of Organometallic and Two Dimensional Semiconductor (United States)

    Park, Jun Hong

    For over half a century, inorganic Si and III-V materials have led the modern semiconductor industry, expanding to logic transistor and optoelectronic applications. However, these inorganic materials have faced two different fundamental limitations, flexibility for wearable applications and scaling limitation as logic transistors. As a result, the organic and two dimensional have been studied intentionally for various fields. In the present dissertation, three different studies will be presented with followed order; (1) the chemical response of organic semiconductor in NO2 exposure. (2) The surface and stability of WSe2 in ambient air. (3) Deposition of dielectric on two dimensional materials using organometallic seeding layer. The organic molecules rely on the van der Waals interaction during growth of thin films, contrast to covalent bond inorganic semiconductors. Therefore, the morphology and electronic property at surface of organic semiconductor in micro scale is more sensitive to change in gaseous conditions. In addition, metal phthalocyanine, which is one of organic semiconductor materials, change their electronic property as reaction with gaseous analytes, suggesting as potential chemical sensing platforms. In the present part, the growth behavior of metal phthalocyanine and surface response to gaseous condition will be elucidated using scanning tunneling microscopy (STM). In second part, the surface of layered transition metal dichalcogenides and their chemical response to exposure ambient air will be investigated, using STM. Layered transition metal dichalcogenides (TMDs) have attracted widespread attention in the scientific community for electronic device applications because improved electrostatic gate control and suppression of short channel leakage resulted from their atomic thin body. To fabricate the transistor based on TMDs, TMDs should be exposed to ambient conditions, while the effect of air exposure has not been understood fully. In this part

  14. A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization. (United States)

    Kissel, Patrick; Murray, Daniel J; Wulftange, William J; Catalano, Vincent J; King, Benjamin T


    In contrast to the wide number and variety of available synthetic routes to conventional linear polymers, the synthesis of two-dimensional polymers and unambiguous proof of their structure remains a challenge. Two-dimensional polymers-single-layered polymers that form a tiling network in exactly two dimensions-have potential for use in nanoporous membranes and other applications. Here, we report the preparation of a fluorinated hydrocarbon two-dimensional polymer that can be exfoliated into single sheets, and its characterization by high-resolution single-crystal X-ray diffraction analysis. The procedure involves three steps: preorganization in a lamellar crystal of a rigid monomer bearing three photoreactive arms, photopolymerization of the crystalline monomers by [4 + 4] cycloaddition, and isolation of individual two-dimensional polymer sheets. This polymer is a molecularly thin (~1 nm) material that combines precisely defined monodisperse pores of ~9 Å with a high pore density of 3.3 × 10(13) pores cm(-2). Atomic-resolution single-crystal X-ray structures of the monomer, an intermediate dimer and the final crystalline two-dimensional polymer were obtained and prove the single-crystal-to-single-crystal nature and molecular precision of the two-dimensional photopolymerization.

  15. Carbon The Future Material for Advanced Technology Applications

    CERN Document Server

    Messina, Giacomo


    Carbon-based materials and their applications constitute a burgeoning topic of scientific research among scientists and engineers attracted from diverse areas such as applied physics, materials science, biology, mechanics, electronics and engineering. Further development of current materials, advances in their applications, and discovery of new forms of carbon are the themes addressed by the frontier research in these fields. This book covers all the fundamental topics concerned with amorphous and crystalline C-based materials, such as diamond, diamond-like carbon, carbon alloys, carbon nanotubes. The goal is, by coherently progressing from growth - and characterisation techniques to technological applications for each class of material, to fashion the first comprehensive state-of-the-art review of this fast evolving field of research in carbon materials.

  16. Influence of exopolymeric materials on bacterially induced mineralization of carbonates. (United States)

    Bains, Amrita; Dhami, Navdeep Kaur; Mukherjee, Abhijit; Reddy, M Sudhakara


    Microbially induced calcium carbonate precipitation is an immensely growing technology for restoration and remediation of building materials. The investigation on role of exopolymeric substances and biofilms in microbially induced calcium carbonate precipitation suggested that these exopolymeric materials play major role in carbonate precipitation in Bacillus megaterium SS3 along with enzymes urease and carbonic anhydrase. The concentration of EPS directly affects the precipitation of carbonate precipitates which might be due to capturing of Ca(2+) ions by acting as nucleation site. Components of the media and presence of calcium also play crucial role in production of exopolymeric substances along with affecting the morphology of carbonate precipitates.

  17. Designed amyloid fibers as materials for selective carbon dioxide capture. (United States)

    Li, Dan; Furukawa, Hiroyasu; Deng, Hexiang; Liu, Cong; Yaghi, Omar M; Eisenberg, David S


    New materials capable of binding carbon dioxide are essential for addressing climate change. Here, we demonstrate that amyloids, self-assembling protein fibers, are effective for selective carbon dioxide capture. Solid-state NMR proves that amyloid fibers containing alkylamine groups reversibly bind carbon dioxide via carbamate formation. Thermodynamic and kinetic capture-and-release tests show the carbamate formation rate is fast enough to capture carbon dioxide by dynamic separation, undiminished by the presence of water, in both a natural amyloid and designed amyloids having increased carbon dioxide capacity. Heating to 100 °C regenerates the material. These results demonstrate the potential of amyloid fibers for environmental carbon dioxide capture.

  18. Electromagnetic Wave Propagation in Two-Dimensional Photonic Crystals

    Energy Technology Data Exchange (ETDEWEB)

    Stavroula Foteinopoulou


    In this dissertation, they have undertaken the challenge to understand the unusual propagation properties of the photonic crystal (PC). The photonic crystal is a medium where the dielectric function is periodically modulated. These types of structures are characterized by bands and gaps. In other words, they are characterized by frequency regions where propagation is prohibited (gaps) and regions where propagation is allowed (bands). In this study they focus on two-dimensional photonic crystals, i.e., structures with periodic dielectric patterns on a plane and translational symmetry in the perpendicular direction. They start by studying a two-dimensional photonic crystal system for frequencies inside the band gap. The inclusion of a line defect introduces allowed states in the otherwise prohibited frequency spectrum. The dependence of the defect resonance state on different parameters such as size of the structure, profile of incoming source, etc., is investigated in detail. For this study, they used two popular computational methods in photonic crystal research, the Finite Difference Time Domain method (FDTD) and the Transfer Matrix Method (TMM). The results for the one-dimensional defect system are analyzed, and the two methods, FDTD and TMM, are compared. Then, they shift their attention only to periodic two-dimensional crystals, concentrate on their band properties, and study their unusual refractive behavior. Anomalous refractive phenomena in photonic crystals included cases where the beam refracts on the ''wrong'' side of the surface normal. The latter phenomenon, is known as negative refraction and was previously observed in materials where the wave vector, the electric field, and the magnetic field form a left-handed set of vectors. These materials are generally called left-handed materials (LHM) or negative index materials (NIM). They investigated the possibility that the photonic crystal behaves as a LHM, and how this behavior relates

  19. Electromagnetic characteristics of carbon nanotube film materials

    Directory of Open Access Journals (Sweden)

    Zhang Wei


    Full Text Available Carbon nanotube (CNT possesses remarkable electrical conductivity, which shows great potential for the application as electromagnetic shielding material. This paper aims to characterize the electromagnetic parameters of a high CNT loading film by using waveguide method. The effects of layer number of CNT laminate, CNT alignment and resin impregnation on the electromagnetic characteristics were analyzed. It is shown that CNT film exhibits anisotropic electromagnetic characteristic. Pristine CNT film shows higher real part of complex permittivity, conductivity and shielding effectiveness when the polarized direction of incident wave is perpendicular to the winding direction of CNT film. For the CNT film laminates, complex permittivity increases with increasing layer number, and correspondingly, shielding effectiveness decreases. The five-layer CNT film shows extraordinary shielding performance with shielding effectiveness ranging from 67 dB to 78 dB in X-band. Stretching process induces the alignment of CNTs. When aligned direction of CNTs is parallel to the electric field, CNT film shows negative permittivity and higher conductivity. Moreover, resin impregnation into CNT film leads to the decrease of conductivity and shielding effectiveness. This research will contribute to the structural design for the application of CNT film as electromagnetic shielding materials.

  20. Carbon-based electrode materials for DNA electroanalysis. (United States)

    Kato, Dai; Niwa, Osamu


    This review addresses recent studies of newly developed carbon-based electrode materials and their use for DNA electroanalysis. Recently, new carbon materials including carbon nanotubes (CNT), graphene and diamond-based nanocarbon electrodes have been actively developed as sensing platforms for biomolecules, such as DNA and proteins. Electrochemical techniques using these new material-based electrodes can provide very simple and inexpensive sensing platforms, and so are expected to be used as one of the "post-light" DNA analysis methods, which include coulometric detection, amperometric detection with electroactive tags or intercalators, and potentiometric detection. DNA electroanalysis using these new carbon materials is summarized in view of recent advances on electrodes.

  1. Interactions between lasers and two-dimensional transition metal dichalcogenides. (United States)

    Lu, Junpeng; Liu, Hongwei; Tok, Eng Soon; Sow, Chorng-Haur


    The recent increasing research interest in two-dimensional (2D) layered materials has led to an explosion of in the discovery of novel physical and chemical phenomena in these materials. Among the 2D family, group-VI transition metal dichalcogenides (TMDs), such as represented by MoS2 and WSe2, are remarkable semiconductors with sizable energy band gaps, which make the TMDs promising building blocks for new generation optoelectronics. On the other hand, the specificity and tunability of the band gaps can generate particularly strong light-matter interactions between TMD crystals and specific photons, which can trigger complex and interesting phenomena such as photo-scattering, photo-excitation, photo-destruction, photo-physical modification, photochemical reaction and photo-oxidation. Herein, we provide an overview of the phenomena explained by various interactions between lasers and the 2D TMDs. Characterizations of the optical fundamentals of the TMDs via laser spectroscopies are reviewed. Subsequently, photoelectric conversion devices enabled by laser excitation and the functionality extension and performance improvement of the TMDs materials via laser modification are comprehensively summarized. Finally, we conclude the review by discussing the prospects for further development in this research area.

  2. Two-Dimensional Nonlinear Finite Element Analysis of CMC Microstructures (United States)

    Mital, Subodh K.; Goldberg, Robert K.; Bonacuse, Peter J.


    A research program has been developed to quantify the effects of the microstructure of a woven ceramic matrix composite and its variability on the effective properties and response of the material. In order to characterize and quantify the variations in the microstructure of a five harness satin weave, chemical vapor infiltrated (CVI) SiC/SiC composite material, specimens were serially sectioned and polished to capture images that detailed the fiber tows, matrix, and porosity. Open source quantitative image analysis tools were then used to isolate the constituents, from which two dimensional finite element models were generated which approximated the actual specimen section geometry. A simplified elastic-plastic model, wherein all stress above yield is redistributed to lower stress regions, is used to approximate the progressive damage behavior for each of the composite constituents. Finite element analyses under in-plane tensile loading were performed to examine how the variability in the local microstructure affected the macroscopic stress-strain response of the material as well as the local initiation and progression of damage. The macroscopic stress-strain response appeared to be minimally affected by the variation in local microstructure, but the locations where damage initiated and propagated appeared to be linked to specific aspects of the local microstructure.

  3. Carbon Cryogel Silicon Composite Anode Materials for Lithium Ion Batteries (United States)

    Woodworth James; Baldwin, Richard; Bennett, William


    A variety of materials are under investigation for use as anode materials in lithium-ion batteries, of which, the most promising are those containing silicon. 10 One such material is a composite formed via the dispersion of silicon in a resorcinol-formaldehyde (RF) gel followed by pyrolysis. Two silicon-carbon composite materials, carbon microspheres and nanofoams produced from nano-phase silicon impregnated RF gel precursors have been synthesized and investigated. Carbon microspheres are produced by forming the silicon-containing RF gel into microspheres whereas carbon nano-foams are produced by impregnating carbon fiber paper with the silicon containing RF gel to create a free standing electrode. 1-4,9 Both materials have demonstrated their ability to function as anodes and utilize the silicon present in the material. Stable reversible capacities above 400 mAh/g for the bulk material and above 1000 mAh/g of Si have been observed.

  4. The Chandrasekhar's Equation for Two-Dimensional Hypothetical White Dwarfs

    CERN Document Server

    De, Sanchari


    In this article we have extended the original work of Chandrasekhar on the structure of white dwarfs to the two-dimensional case. Although such two-dimensional stellar objects are hypothetical in nature, we strongly believe that the work presented in this article may be prescribed as Master of Science level class problem for the students in physics.

  5. Beginning Introductory Physics with Two-Dimensional Motion (United States)

    Huggins, Elisha


    During the session on "Introductory College Physics Textbooks" at the 2007 Summer Meeting of the AAPT, there was a brief discussion about whether introductory physics should begin with one-dimensional motion or two-dimensional motion. Here we present the case that by starting with two-dimensional motion, we are able to introduce a considerable…

  6. Spatiotemporal surface solitons in two-dimensional photonic lattices. (United States)

    Mihalache, Dumitru; Mazilu, Dumitru; Lederer, Falk; Kivshar, Yuri S


    We analyze spatiotemporal light localization in truncated two-dimensional photonic lattices and demonstrate the existence of two-dimensional surface light bullets localized in the lattice corners or the edges. We study the families of the spatiotemporal surface solitons and their properties such as bistability and compare them with the modes located deep inside the photonic lattice.

  7. Explorative data analysis of two-dimensional electrophoresis gels

    DEFF Research Database (Denmark)

    Schultz, J.; Gottlieb, D.M.; Petersen, Marianne Kjerstine;


    Methods for classification of two-dimensional (2-DE) electrophoresis gels based on multivariate data analysis are demonstrated. Two-dimensional gels of ten wheat varieties are analyzed and it is demonstrated how to classify the wheat varieties in two qualities and a method for initial screening...

  8. Mechanics of Apparent Horizon in Two Dimensional Dilaton Gravity

    CERN Document Server

    Cai, Rong-Gen


    In this article, we give a definition of apparent horizon in a two dimensional general dilaton gravity theory. With this definition, we construct the mechanics of the apparent horizon by introducing a quasi-local energy of the theory. Our discussion generalizes the apparent horizons mechanics in general spherically symmetric spactimes in four or higher dimensions to the two dimensional dilaton gravity case.

  9. Topological aspect of disclinations in two-dimensional crystals

    Institute of Scientific and Technical Information of China (English)

    Qi Wei-Kai; Zhu Tao; Chen Yong; Ren Ji-Rong


    By using topological current theory, this paper studies the inner topological structure of disclinations during the melting of two-dimensional systems. From two-dimensional elasticity theory, it finds that there are topological currents for topological defects in homogeneous equation. The evolution of disclinations is studied, and the branch conditions for generating, annihilating, crossing, splitting and merging of disclinations are given.

  10. Exciton Mapping at Subwavelength Scales in Two-Dimensional Materials

    KAUST Repository

    Tizei, Luiz H. G.


    Spatially resolved electron-energy-loss spectroscopy (EELS) is performed at diffuse interfaces between MoS2 and MoSe2 single layers. With a monochromated electron source (20 meV) we successfully probe excitons near the interface by obtaining the low loss spectra at the nanometer scale. The exciton maps clearly show variations even with a 10 nm separation between measurements; consequently, the optical band gap can be measured with nanometer-scale resolution, which is 50 times smaller than the wavelength of the emitted photons. By performing core-loss EELS at the same regions, we observe that variations in the excitonic signature follow the chemical composition. The exciton peaks are observed to be broader at interfaces and heterogeneous regions, possibly due to interface roughness and alloying effects. Moreover, we do not observe shifts of the exciton peak across the interface, possibly because the interface width is not much larger than the exciton Bohr radius.

  11. Study of Two-Dimensional Materials with Honeycomb Geometry

    NARCIS (Netherlands)

    Boneschanscher, M.P.


    Honeycomb structures have already fascinated mankind since ancient times. They were observed in various natural occurring phenomena, from the structure of the beehive of the honeybee that granted the structure its name, to the inner structure of butterfly wings, bones, and insect eyes. The honeycomb

  12. An overview of carbon materials for flexible electrochemical capacitors. (United States)

    He, Yongmin; Chen, Wanjun; Gao, Caitian; Zhou, Jinyuan; Li, Xiaodong; Xie, Erqing


    Under the background of the quick development of lightweight, flexible, and wearable electronic devices in our society, a flexible and highly efficient energy management strategy is needed for their counterpart energy-storage systems. Among them, flexible electrochemical capacitors (ECs) have been considered as one of the most promising candidates because of their significant advantages in power and energy densities, and unique properties of being flexible, lightweight, low-cost, and environmentally friendly compared with current energy storage devices. In a common EC, carbon materials play an irreplaceable and principal role in its energy-storage performance. Up till now, most progress towards flexible ECs technologies has mostly benefited from the continuous development of carbon materials. As a result, in view of the dual remarkable highlights of ECs and carbon materials, a summary of recent research progress on carbon-based flexible EC electrode materials is presented in this review, including carbon fiber (CF, consisting of carbon microfiber-CMF and carbon nanofiber-CNF) networks, carbon nanotube (CNT) and graphene coatings, CNT and/or graphene papers (or films), and freestanding three-dimensional (3D) flexible carbon-based macroscopic architectures. Furthermore, some promising carbon materials for great potential applications in flexible ECs are introduced. Finally, the trends and challenges in the development of carbon-based electrode materials for flexible ECs and their smart applications are analyzed.

  13. Invariant Subspaces of the Two-Dimensional Nonlinear Evolution Equations

    Directory of Open Access Journals (Sweden)

    Chunrong Zhu


    Full Text Available In this paper, we develop the symmetry-related methods to study invariant subspaces of the two-dimensional nonlinear differential operators. The conditional Lie–Bäcklund symmetry and Lie point symmetry methods are used to construct invariant subspaces of two-dimensional differential operators. We first apply the multiple conditional Lie–Bäcklund symmetries to derive invariant subspaces of the two-dimensional operators. As an application, the invariant subspaces for a class of two-dimensional nonlinear quadratic operators are provided. Furthermore, the invariant subspace method in one-dimensional space combined with the Lie symmetry reduction method and the change of variables is used to obtain invariant subspaces of the two-dimensional nonlinear operators.

  14. Simulation of laser bistatic two-dimensional scattering imaging about lambertian cylinders (United States)

    Gong, Yanjun; Li, Lang; Wang, Mingjun; Gong, Lei


    This paper deals with the simulation of laser bi-static scattering imaging about lambertian cylinders. Two-dimensional imaging of a target can reflect the shape of the target and material property on the surface of the target. Two-dimensional imaging has important significance for target recognition. Simulations results of laser bi-static two-dimensional scattering imaging of some cylinders are given. The laser bi-static scattering imaging of cylinder, whose surface material with diffuse lambertian reflectance, is given in this paper. The scattering direction of laser bi-static scattering imaging is arbitrary direction. The scattering direction of backward two-dimensional scattering imaging is at opposite direction of the incident direction of laser. The backward two-dimensional scattering imaging is special case of bi-static two dimensional scattering imaging. The scattering intensity of a micro-element on the target could be obtained based on the laser radar equation. The intensity is related to local angle of incidence, local angle of scattering and the infinitesimal area on the surface of cylinder. According to the incident direction of incident laser and normal of infinitesimal area, the local incidence angle can be calculated. According to the scattering direction and normal of infinitesimal area, the local angle of scattering can be calculated. Through surface integration and the introduction of the rectangular function, we can get the intensity of imaging unit on the imaging surface, and then get mathematical model of bi-static laser two dimensional scattering imaging about lambert cylinder. From the results given, one can see that the simulation results of laser bi-static scattering about lambert cylinder is correct.

  15. Effect of Carbon Containing Materials on Pure Carbon Reaction-bonded SiC

    Institute of Scientific and Technical Information of China (English)

    JI Xiaoli; WEI Lei; SUN Feng


    Petroleum coke, graphite, gas carbon and lower sulfur carbon black were used to prepare reaction-bonded silicon carbide. The influences of different carbon containing materials on properties of carbonaceous precursors, sintering process, and microstructure of the prepared SiC were researched. The results show that:(1)With the density of carbon containing materials increasing, the porosity of carbonaceous precursors decreases and the infiltrating process of liquid silicon is more difficult.(2)The reaction between carbon containing materials and liquid silicon, the volume effect is more obvious with the density of carbon containing materials increasing.(3)As the carbon containing materials density decreasing, residual carbon in reaction bonded SiC also decreases.

  16. Determination of local texture and stress distributions on submicro-/nanocrystalline multiphase gradient materials by means of two-dimensional X-ray diffraction as well by means of analytical and numerical modeling approaches; Bestimmung lokaler Textur- und Spannungsverteilungen an submikro-/nanokristallinen mehrphasigen Gradientenmaterialien mittels zweidimensionaler Roentgenmikrobeugung sowie anhand analytischer und numerischer Modellierungsansaetze

    Energy Technology Data Exchange (ETDEWEB)

    Eschke, Andy


    Examination object of the present thesis was the determination of local distributions of crystallographic texture and mechanical (eigen-)stresses in submicro-/nan0crystalline many-phase gradient materials. For this at the one hand experimental methods of the two-dimensional X-ray diffraction were applied as well as at the other hand theoretical calculations performed by means of analytical and numerical modeling approaches. The interest for the material is founded on the fact that ultrafine-granular materials because of their mechanical propertier (for instance hardness, ductility) ar to be stressed for advanced engineering application purposes. Furthermore the application of many-phase gradient materials makes to some extent possible a manufacture for measure concerning physical properties and by this a manifold of application potentials as well as a tuning of the material properties to the differential requirements in the application fields. This measure tailoring is related both to the degree of gradiation and to the special composition of the composite materials by the chosen starting materials. The work performed in the framework of the excellence cluster ''European Centre for Emerging Materials and Processes Dresden (ECEMP)'' of the Saxonian excellence initiative aimed especially to the analysis of an especially processed, ultrafine-granular Ti/Al composite, which was and is research object of the partial ECEMP project ''High strength metallic composites'' (HSMetComp). Thereby were process as well as materials in the focus of the above mentioned (indirect) examination methods. which were adapted and further developed for these purposes. The results of the experimental as well as theoretical studies could contribute to an increased understanding of the technological process as well as the material behaviour and can by this also used for hints concerning process- and/or material-sided optimizations. Altogether they

  17. Two-Dimensional Nanomaterials for Biomedical Applications: Emerging Trends and Future Prospects. (United States)

    Chimene, David; Alge, Daniel L; Gaharwar, Akhilesh K


    Two-dimensional (2D) nanomaterials are ultrathin nanomaterials with a high degree of anisotropy and chemical functionality. Research on 2D nanomaterials is still in its infancy, with the majority of research focusing on elucidating unique material characteristics and few reports focusing on biomedical applications of 2D nanomaterials. Nevertheless, recent rapid advances in 2D nanomaterials have raised important and exciting questions about their interactions with biological moieties. 2D nanoparticles such as carbon-based 2D materials, silicate clays, transition metal dichalcogenides (TMDs), and transition metal oxides (TMOs) provide enhanced physical, chemical, and biological functionality owing to their uniform shapes, high surface-to-volume ratios, and surface charge. Here, we focus on state-of-the-art biomedical applications of 2D nanomaterials as well as recent developments that are shaping this emerging field. Specifically, we describe the unique characteristics that make 2D nanoparticles so valuable, as well as the biocompatibility framework that has been investigated so far. Finally, to both capture the growing trend of 2D nanomaterials for biomedical applications and to identify promising new research directions, we provide a critical evaluation of potential applications of recently developed 2D nanomaterials.

  18. Development of Novel Two-dimensional Layers, Alloys and Heterostructures (United States)

    Liu, Zheng


    The one-atom-think graphene has fantastic properties and attracted tremendous interests in these years, which opens a window towards various two-dimensional (2D) atomic layers. However, making large-size and high-quality 2D layers is still a great challenge. Using chemical vapor deposition (CVD) method, we have successfully synthesized a wide varieties of highly crystalline and large scale 2D atomic layers, including h-BN, metal dichalcogenides e.g. MoS2, WS2, CdS, GaSe and MoSe2 which belong to the family of binary 2D materials. Ternary 2D alloys including BCN and MoS2xSe2 (1 - x) are also prepared and characterized. In addition, synthesis of 2D heterostructures such as vertical and lateral graphene/h-BN, vertical and lateral TMDs are also demonstrated. Complementary to CVD grown 2D layers, 2D single-crystal (bulk) such as Phosphorene (P), WTe2, SnSe2, PtS2, PtSe2, PdSe2, WSe2xTe2 (1 - x), Ta2NiS5andTa2NiSe5 are also prepared by solid reactions. There work provide a better understanding of the atomic layered materials in terms of the synthesis, atomic structure, alloying and their physical properties. Potential applications of these 2D layers e.g. optoelectronic devices, energy device and smart coating have been explored.

  19. Two-dimensional gallium nitride realized via graphene encapsulation (United States)

    Al Balushi, Zakaria Y.; Wang, Ke; Ghosh, Ram Krishna; Vilá, Rafael A.; Eichfeld, Sarah M.; Caldwell, Joshua D.; Qin, Xiaoye; Lin, Yu-Chuan; Desario, Paul A.; Stone, Greg; Subramanian, Shruti; Paul, Dennis F.; Wallace, Robert M.; Datta, Suman; Redwing, Joan M.; Robinson, Joshua A.


    The spectrum of two-dimensional (2D) and layered materials `beyond graphene’ offers a remarkable platform to study new phenomena in condensed matter physics. Among these materials, layered hexagonal boron nitride (hBN), with its wide bandgap energy (~5.0-6.0 eV), has clearly established that 2D nitrides are key to advancing 2D devices. A gap, however, remains between the theoretical prediction of 2D nitrides `beyond hBN’ and experimental realization of such structures. Here we demonstrate the synthesis of 2D gallium nitride (GaN) via a migration-enhanced encapsulated growth (MEEG) technique utilizing epitaxial graphene. We theoretically predict and experimentally validate that the atomic structure of 2D GaN grown via MEEG is notably different from reported theory. Moreover, we establish that graphene plays a critical role in stabilizing the direct-bandgap (nearly 5.0 eV), 2D buckled structure. Our results provide a foundation for discovery and stabilization of 2D nitrides that are difficult to prepare via traditional synthesis.

  20. Two-dimensional discrete gap breathers in a two-dimensional discrete diatomic Klein-Gordon lattice

    Institute of Scientific and Technical Information of China (English)

    XU Quan; QIANG Tian


    We study the existence and stability of two-dimensional discrete breathers in a two-dimensional discrete diatomic Klein-Gordon lattice consisting of alternating light and heavy atoms, with nearest-neighbor harmonic coupling.Localized solutions to the corresponding nonlinear differential equations with frequencies inside the gap of the linear wave spectrum, i.e. two-dimensional gap breathers, are investigated numerically. The numerical results of the corresponding algebraic equations demonstrate the possibility of the existence of two-dimensional gap breathers with three types of symmetries, i.e., symmetric, twin-antisymmetric and single-antisymmetric. Their stability depends on the nonlinear on-site potential (soft or hard), the interaction potential (attractive or repulsive)and the center of the two-dimensional gap breather (on a light or a heavy atom).

  1. Two-dimensional silicon: the advent of silicene (United States)

    Grazianetti, Carlo; Cinquanta, Eugenio; Molle, Alessandro


    Silicene is sometimes thought of as the Si alter ego of graphene. However, experimental evidence indicates that silicene is substantially different from graphene in terms of its stability, atomic structure, electronic properties, and device process issues. Some of these aspects hamper the feasibility of silicene for practical application, but at the same time they may offer routes to engineer or functionalize silicene as a complementary material to graphene if a good control of the material can be achieved. As such, the research on silicene runs along the cutting edge between unsurmountable limitation and pioneering opportunities. In the present review, we examine the issues that are representative of this dual edge and try to make a preliminary balance of the state-of-the-art features of this material. Each relevant topic will be explored in a dedicated section. We start with the introduction of ‘experimental’ silicene in the so-called ’flatland’ from the point of view of technology drivers and of its conceptual precursor, freestanding silicene. We then explore the following: specific aspects of the silicene on substrates; the tendency of silicene to have multiple structural forms (what we call the polymorphic nature of silicene) the role of the strong hybridization with the substrate in the electronic band structure of silicene; the Raman spectrum of silicene, and silicene processing and integration into a transistor. Finally we conclude by proposing an investigation into silicene’s emerging contemporaries in the realm of elementary two-dimensional materials. Mindful of ongoing discussions and current issues, we try to go to the heart of the problems by treating each topic objectively and scientifically and we then provide our personal views in the discussion.

  2. Two Dimensional Hydrodynamic Analysis of the Moose Creek Floodway (United States)


    ER D C/ CH L TR -1 2 -2 0 Two Dimensional Hydrodynamic Analysis of the Moose Creek Floodway C oa st al a n d H yd ra u lic s La b or at...distribution is unlimited. ERDC/CHL TR-12-20 September 2012 Two Dimensional Hydrodynamic Analysis of the Moose Creek Floodway Stephen H. Scott, Jeremy A...A two-dimensional Adaptive Hydraulics (AdH) hydrodynamic model was developed to simulate the Moose Creek Floodway. The Floodway is located


    Institute of Scientific and Technical Information of China (English)

    Han Ke; Zhu Xiuchang


    The letter presents an improved two-dimensional linear discriminant analysis method for feature extraction. Compared with the current two-dimensional methods for feature extraction, the improved two-dimensional linear discriminant analysis method makes full use of not only the row and the column direction information of face images but also the discriminant information among different classes. The method is evaluated using the Nanjing University of Science and Technology (NUST) 603 face database and the Aleix Martinez and Robert Benavente (AR) face database. Experimental results show that the method in the letter is feasible and effective.


    Directory of Open Access Journals (Sweden)

    Nikola Stefanović


    Full Text Available In order to motivate their group members to perform certain tasks, leaders use different leadership styles. These styles are based on leaders' backgrounds, knowledge, values, experiences, and expectations. The one-dimensional styles, used by many world leaders, are autocratic and democratic styles. These styles lie on the two opposite sides of the leadership spectrum. In order to precisely define the leadership styles on the spectrum between the autocratic leadership style and the democratic leadership style, leadership theory researchers use two dimensional matrices. The two-dimensional matrices define leadership styles on the basis of different parameters. By using these parameters, one can identify two-dimensional styles.

  5. Field Sensing Characteristic Research of Carbon Fiber Smart Material

    Institute of Scientific and Technical Information of China (English)

    ZHANG Xiaoyu; Lü Yong; CHEN Jianzhong; LI Zhuoqiu


    In order to research the field sensing characteristic of the carbon fiber smart material, the Tikhonov regularization principle and the modiifed Newton-Raphson(MNR) algorithm were adopted to solve the inverse problem of the electrical resistance tomography (ERT). An ERT system of carbon fiber smart material was developed. Field sensing characteristic was researched with the experiment. The experimental results show that the speciifc resistance distribution of carbon ifber smart material is highly consistent with the distribution of structural strain. High resistance zone responds to high strain area, and the speciifc resistance distribution of carbon ifber smart material relfects the distribution of sample strain in covering area. Monitoring by carbon ifber smart material on complicated strain status in sample ifeld domain is realized through theoretical and experimental study.

  6. Carbon materials for drug delivery & cancer therapy

    Directory of Open Access Journals (Sweden)

    Zhuang Liu


    Full Text Available Carbon nanotubes and graphene are both low-dimensional sp2 carbon nanomaterials exhibiting many unique physical and chemical properties that are interesting in a wide range of areas including nanomedicine. Since 2004, carbon nanotubes have been extensively explored as drug delivery carriers for the intracellular transport of chemotherapy drugs, proteins, and genes. In vivo cancer treatment with carbon nanotubes has been demonstrated in animal experiments by several different groups. Recently, graphene, another allotrope of carbon, has also shown promise in various biomedical applications. In this article, we will highlight recent research on these two categories of closely related carbon nanomaterials for applications in drug delivery and cancer therapy, and discuss the opportunities and challenges in this rapidly growing field.

  7. Patterning two-dimensional free-standing surfaces with mesoporous conducting polymers

    NARCIS (Netherlands)

    Liu, Shaohua; Gordiichuk, Pavlo; Wu, Zhong-Shuai; Liu, Zhaoyang; Wei, Wei; Wagner, Manfred; Mohamed-Noriega, Nasser; Wu, Dongqing; Mai, Yiyong; Herrmann, Andreas; Müllen, Klaus; Feng, Xinliang


    The ability to pattern functional moieties with well-defined architectures is highly important in material science, nanotechnology and bioengineering. Although two-dimensional surfaces can serve as attractive platforms, direct patterning them in solution with regular arrays remains a major challenge

  8. Non-linear excitation of quantum emitters in two-dimensional hexagonal boron nitride

    CERN Document Server

    Schell, Andreas W; Takashima, Hideaki; Takeuchi, Shigeki; Aharonovich, Igor


    Two-photon absorption is an important non-linear process employed for high resolution bio-imaging and non-linear optics. In this work we realize two-photon excitation of a quantum emitter embedded in a two-dimensional material. We examine defects in hexagonal boron nitride and show that the emitters exhibit similar spectral and quantum properties under one-photon and two-photon excitation. Furthermore, our findings are important to deploy two-dimensional hexagonal boron nitride for quantum non-linear photonic applications.

  9. The nonlinear optical response of a two-dimensional atomic crystal

    CERN Document Server

    Merano, Michele


    The theory of Bloembergen and Persham for the light waves at the boundary of nonlinear media is applied to a nonlinear two-dimensional atomic crystal placed in between linear bulk media. The crystal is treated as a zero-thickness interface, a real two-dimensional system. Harmonic waves emanate from it. Generalization of the laws of reflection and refraction give the direction and the intensity of the harmonic waves. The nonlinear polarization of these special materials is very sensitive to the substrate on which they are deposited. Experiments on second harmonic generation of a $\\rm MoS_{2}$ monolayer are discussed to elucidate this point.


    Institute of Scientific and Technical Information of China (English)

    袁光伟; 沈智军; 闫伟


    In this paper the upwind discontinuous Galerkin methods with triangle meshes for two dimensional neutron transport equations will be studied.The stability for both of the semi-discrete and full-discrete method will be proved.

  11. Two-Dimensionally-Modulated, Magnetic Structure of Neodymium Metal

    DEFF Research Database (Denmark)

    Lebech, Bente; Bak, P.


    The incipient magnetic order of dhcp Nd is described by a two-dimensional, incommensurably modulated structure ("triple-q" structure). The ordering is accompanied by a lattice distortion that forms a similar pattern....

  12. Entanglement Entropy for time dependent two dimensional holographic superconductor

    CERN Document Server

    Mazhari, N S; Myrzakulov, Kairat; Myrzakulov, R


    We studied entanglement entropy for a time dependent two dimensional holographic superconductor. We showed that the conserved charge of the system plays the role of the critical parameter to have condensation.

  13. Decoherence in a Landau Quantized Two Dimensional Electron Gas

    Directory of Open Access Journals (Sweden)

    McGill Stephen A.


    Full Text Available We have studied the dynamics of a high mobility two-dimensional electron gas as a function of temperature. The presence of satellite reflections in the sample and magnet can be modeled in the time-domain.

  14. Quantization of Two-Dimensional Gravity with Dynamical Torsion

    CERN Document Server

    Lavrov, P M


    We consider two-dimensional gravity with dynamical torsion in the Batalin - Vilkovisky and Batalin - Lavrov - Tyutin formalisms of gauge theories quantization as well as in the background field method.

  15. Spatiotemporal dissipative solitons in two-dimensional photonic lattices. (United States)

    Mihalache, Dumitru; Mazilu, Dumitru; Lederer, Falk; Kivshar, Yuri S


    We analyze spatiotemporal dissipative solitons in two-dimensional photonic lattices in the presence of gain and loss. In the framework of the continuous-discrete cubic-quintic Ginzburg-Landau model, we demonstrate the existence of novel classes of two-dimensional spatiotemporal dissipative lattice solitons, which also include surface solitons located in the corners or at the edges of the truncated two-dimensional photonic lattice. We find the domains of existence and stability of such spatiotemporal dissipative solitons in the relevant parameter space, for both on-site and intersite lattice solitons. We show that the on-site solitons are stable in the whole domain of their existence, whereas most of the intersite solitons are unstable. We describe the scenarios of the instability-induced dynamics of dissipative solitons in two-dimensional lattices.

  16. Bound states of two-dimensional relativistic harmonic oscillators

    Institute of Scientific and Technical Information of China (English)

    Qiang Wen-Chao


    We give the exact normalized bound state wavefunctions and energy expressions of the Klein-Gordon and Dirac equations with equal scalar and vector harmonic oscillator potentials in the two-dimensional space.

  17. Second invariant for two-dimensional classical super systems

    Indian Academy of Sciences (India)

    S C Mishra; Roshan Lal; Veena Mishra


    Construction of superpotentials for two-dimensional classical super systems (for ≥ 2) is carried out. Some interesting potentials have been studied in their super form and also their integrability.

  18. Nonlinear two-dimensional terahertz photon echo and rotational spectroscopy in the gas phase

    CERN Document Server

    Lu, Jian; Hwang, Harold Y; Ofori-Okai, Benjamin K; Fleischer, Sharly; Nelson, Keith A


    Ultrafast two-dimensional spectroscopy utilizes correlated multiple light-matter interactions for retrieving dynamic features that may otherwise be hidden under the linear spectrum. Its extension to the terahertz regime of the electromagnetic spectrum, where a rich variety of material degrees of freedom reside, remains an experimental challenge. Here we report ultrafast two-dimensional terahertz spectroscopy of gas-phase molecular rotors at room temperature. Using time-delayed terahertz pulse pairs, we observe photon echoes and other nonlinear signals resulting from molecular dipole orientation induced by three terahertz field-dipole interactions. The nonlinear time-domain orientation signals are mapped into the frequency domain in two-dimensional rotational spectra which reveal J-state-resolved nonlinear rotational dynamics. The approach enables direct observation of correlated rotational transitions and may reveal rotational coupling and relaxation pathways in the ground electronic and vibrational state.

  19. One- and two-dimensional fluids properties of smectic, lamellar and columnar liquid crystals

    CERN Document Server

    Jakli, Antal


    Smectic and lamellar liquid crystals are three-dimensional layered structures in which each layer behaves as a two-dimensional fluid. Because of their reduced dimensionality they have unique physical properties and challenging theoretical descriptions, and are the subject of much current research. One- and Two-Dimensional Fluids: Properties of Smectic, Lamellar and Columnar Liquid Crystals offers a comprehensive review of these phases and their applications. The book details the basic structures and properties of one- and two-dimensional fluids and the nature of phase transitions. The later chapters consider the optical, magnetic, and electrical properties of special structures, including uniformly and non-uniformly aligned anisotropic films, lyotropic lamellar systems, helical and chiral structures, and organic anisotropic materials. Topics also include typical and defective features, magnetic susceptibility, and electrical conductivity. The book concludes with a review of current and potential applications ...

  20. Two-dimensional multiferroics in monolayer group IV monochalcogenides (United States)

    Wang, Hua; Qian, Xiaofeng


    Low-dimensional multiferroic materials hold great promises in miniaturized device applications such as nanoscale transducers, actuators, sensors, photovoltaics, and nonvolatile memories. Here, using first-principles theory we predict that two-dimensional (2D) monolayer group IV monochalcogenides including GeS, GeSe, SnS, and SnSe are a class of 2D semiconducting multiferroics with giant strongly-coupled in-plane spontaneous ferroelectric polarization and spontaneous ferroelastic lattice strain that are thermodynamically stable at room temperature and beyond, and can be effectively modulated by elastic strain engineering. Their optical absorption spectra exhibit strong in-plane anisotropy with visible-spectrum excitonic gaps and sizable exciton binding energies, rendering the unique characteristics of low-dimensional semiconductors. More importantly, the predicted low domain wall energy and small migration barrier together with the coupled multiferroic order and anisotropic electronic structures suggest their great potentials for tunable multiferroic functional devices by manipulating external electrical, mechanical, and optical field to control the internal responses, and enable the development of four device concepts including 2D ferroelectric memory, 2D ferroelastic memory, and 2D ferroelastoelectric nonvolatile photonic memory as well as 2D ferroelectric excitonic photovoltaics.

  1. Two Dimensional Organometal Halide Perovskite Nanorods with Tunable Optical Properties. (United States)

    Aharon, Sigalit; Etgar, Lioz


    Organo-metal halide perovskite is an efficient light harvester in photovoltaic solar cells. Organometal halide perovskite is used mainly in its "bulk" form in the solar cell. Confined perovskite nanostructures could be a promising candidate for efficient optoelectronic devices, taking advantage of the superior bulk properties of organo-metal halide perovskite, as well as the nanoscale properties. In this paper, we present facile low-temperature synthesis of two-dimensional (2D) lead halide perovskite nanorods (NRs). These NRs show a shift to higher energies in the absorbance and in the photoluminescence compared to the bulk material, which supports their 2D structure. X-ray diffraction (XRD) analysis of the NRs demonstrates their 2D nature combined with the tetragonal 3D perovskite structure. In addition, by alternating the halide composition, we were able to tune the optical properties of the NRs. Fast Fourier transform, and electron diffraction show the tetragonal structure of these NRs. By varying the ligands ratio (e.g., octylammonium to oleic acid) in the synthesis, we were able to provide the formation mechanism of these novel 2D perovskite NRs. The 2D perovskite NRs are promising candidates for a variety of optoelectronic applications, such as light-emitting diodes, lasing, solar cells, and sensors.

  2. Defect engineering of two-dimensional transition metal dichalcogenides (United States)

    Lin, Zhong; Carvalho, Bruno R.; Kahn, Ethan; Lv, Ruitao; Rao, Rahul; Terrones, Humberto; Pimenta, Marcos A.; Terrones, Mauricio


    Two-dimensional transition metal dichalcogenides (TMDs), an emerging family of layered materials, have provided researchers a fertile ground for harvesting fundamental science and emergent applications. TMDs can contain a number of different structural defects in their crystal lattices which significantly alter their physico-chemical properties. Having structural defects can be either detrimental or beneficial, depending on the targeted application. Therefore, a comprehensive understanding of structural defects is required. Here we review different defects in semiconducting TMDs by summarizing: (i) the dimensionalities and atomic structures of defects; (ii) the pathways to generating structural defects during and after synthesis and, (iii) the effects of having defects on the physico-chemical properties and applications of TMDs. Thus far, significant progress has been made, although we are probably still witnessing the tip of the iceberg. A better understanding and control of defects is important in order to move forward the field of Defect Engineering in TMDs. Finally, we also provide our perspective on the challenges and opportunities in this emerging field.

  3. Stability and electronic properties of two-dimensional indium iodide (United States)

    Wang, Jizhang; Dong, Baojuan; Guo, Huaihong; Yang, Teng; Zhu, Zhen; Hu, Gan; Saito, Riichiro; Zhang, Zhidong


    Based on ab initio density functional calculations, we studied the stability and electronic properties of two-dimensional indium iodide (InI). The calculated results show that monolayer and few-layer InI can be as stable as its bulk counterpart. The stability of the monolayer structure is further supported by examining the electronic and dynamic stability. The interlayer interaction is found to be fairly weak (˜160 meV/atom) and mechanical exfoliation to obtain monolayer and few-layer structures will be applicable. A direct band gap of 1.88 eV of the bulk structure is obtained from the hybrid functional method, and is comparable to the experimental one (˜2.00 eV). The electronic structure can be tuned by layer stacking and external strain. The size of the gap is a linear function of an inverse number of layers, suggesting that we can design few-layer structures for optoelectronic applications in the visible optical range. In-plane tensile or hydrostatic compressive stress is found to be useful not only in varying the gap size to cover the whole visible optical range, but also in inducing a semiconductor-metal transition with an experimentally accessible stress. The present result strongly supports the strategy of broadening the scope of group-V semiconductors by looking for isoelectronic III-VII atomic-layered materials.

  4. Two-Dimensional Halide Perovskites: Tuning Electronic Activities of Defects. (United States)

    Liu, Yuanyue; Xiao, Hai; Goddard, William A


    Two-dimensional (2D) halide perovskites are emerging as promising candidates for nanoelectronics and optoelectronics. To realize their full potential, it is important to understand the role of those defects that can strongly impact material properties. In contrast to other popular 2D semiconductors (e.g., transition metal dichalcogenides MX2) for which defects typically induce harmful traps, we show that the electronic activities of defects in 2D perovskites are significantly tunable. For example, even with a fixed lattice orientation one can change the synthesis conditions to convert a line defect (edge or grain boundary) from electron acceptor to inactive site without deep gap states. We show that this difference originates from the enhanced ionic bonding in these perovskites compared with MX2. The donors tend to have high formation energies and the harmful defects are difficult to form at a low halide chemical potential. Thus, we unveil unique properties of defects in 2D perovskites and suggest practical routes to improve them.

  5. Transparent Conductive Two-Dimensional Titanium Carbide Epitaxial Thin Films. (United States)

    Halim, Joseph; Lukatskaya, Maria R; Cook, Kevin M; Lu, Jun; Smith, Cole R; Näslund, Lars-Åke; May, Steven J; Hultman, Lars; Gogotsi, Yury; Eklund, Per; Barsoum, Michel W


    Since the discovery of graphene, the quest for two-dimensional (2D) materials has intensified greatly. Recently, a new family of 2D transition metal carbides and carbonitrides (MXenes) was discovered that is both conducting and hydrophilic, an uncommon combination. To date MXenes have been produced as powders, flakes, and colloidal solutions. Herein, we report on the fabrication of ∼1 × 1 cm(2) Ti3C2 films by selective etching of Al, from sputter-deposited epitaxial Ti3AlC2 films, in aqueous HF or NH4HF2. Films that were about 19 nm thick, etched with NH4HF2, transmit ∼90% of the light in the visible-to-infrared range and exhibit metallic conductivity down to ∼100 K. Below 100 K, the films' resistivity increases with decreasing temperature and they exhibit negative magnetoresistance-both observations consistent with a weak localization phenomenon characteristic of many 2D defective solids. This advance opens the door for the use of MXenes in electronic, photonic, and sensing applications.

  6. How two-dimensional bending can extraordinarily stiffen thin sheets (United States)

    Pini, V.; Ruz, J. J.; Kosaka, P. M.; Malvar, O.; Calleja, M.; Tamayo, J.


    Curved thin sheets are ubiquitously found in nature and manmade structures from macro- to nanoscale. Within the framework of classical thin plate theory, the stiffness of thin sheets is independent of its bending state for small deflections. This assumption, however, goes against intuition. Simple experiments with a cantilever sheet made of paper show that the cantilever stiffness largely increases with small amounts of transversal curvature. We here demonstrate by using simple geometric arguments that thin sheets subject to two-dimensional bending necessarily develop internal stresses. The coupling between the internal stresses and the bending moments can increase the stiffness of the plate by several times. We develop a theory that describes the stiffness of curved thin sheets with simple equations in terms of the longitudinal and transversal curvatures. The theory predicts experimental results with a macroscopic cantilever sheet as well as numerical simulations by the finite element method. The results shed new light on plant and insect wing biomechanics and provide an easy route to engineer micro- and nanomechanical structures based on thin materials with extraordinary stiffness tunability.

  7. Carbon nanotubes grown on bulk materials and methods for fabrication (United States)

    Menchhofer, Paul A.; Montgomery, Frederick C.; Baker, Frederick S.


    Disclosed are structures formed as bulk support media having carbon nanotubes formed therewith. The bulk support media may comprise fibers or particles and the fibers or particles may be formed from such materials as quartz, carbon, or activated carbon. Metal catalyst species are formed adjacent the surfaces of the bulk support material, and carbon nanotubes are grown adjacent the surfaces of the metal catalyst species. Methods employ metal salt solutions that may comprise iron salts such as iron chloride, aluminum salts such as aluminum chloride, or nickel salts such as nickel chloride. Carbon nanotubes may be separated from the carbon-based bulk support media and the metal catalyst species by using concentrated acids to oxidize the carbon-based bulk support media and the metal catalyst species.

  8. Silicon Composite Anode Materials for Lithium Ion Batteries Based on Carbon Cryogels and Carbon Paper (United States)

    Woodworth, James; Baldwin, Richard; Bennett, William


    A variety of materials are under investigation for use as anode materials in lithium-ion batteries, of which, the most promising are those containing silicon. One such material is a composite formed via the dispersion of silicon in a resorcinol-formaldehyde (RF) gel followed by pyrolysis. Two silicon-carbon composite materials, carbon microspheres and nanofoams produced from nano-phase silicon impregnated RF gel precursors have been synthesized and investigated. Carbon microspheres are produced by forming the silicon-containing RF gel into microspheres whereas carbon nanofoams are produced by impregnating carbon fiber paper with the silicon containing RF gel to create a free standing electrode. Both materials have demonstrated their ability to function as anodes and utilize the silicon present in the material. Stable reversible capacities above 400 mAh/g for the bulk material and above 1000 mAh/g of Si have been observed.

  9. Carbon Cryogel and Carbon Paper-Based Silicon Composite Anode Materials for Lithium-Ion Batteries (United States)

    Woodworth, James; Baldwin, Richard; Bennett, William


    A variety of materials are under investigation for use as anode materials in lithium-ion batteries, of which, the most promising are those containing silicon. 6 One such material is a composite formed via the dispersion of silicon in a resorcinol-formaldehyde (RF) gel followed by pyrolysis. Two silicon-carbon composite materials, carbon microspheres and nanofoams produced from nano-phase silicon impregnated RF gel precursors have been synthesized and investigated. Carbon microspheres are produced by forming the silicon-containing RF gel into microspheres whereas carbon nano-foams are produced by impregnating carbon fiber paper with the silicon containing RF gel to create a free standing electrode. 1-5 Both materials have demonstrated their ability to function as anodes and utilize the silicon present in the material. Stable reversible capacities above 400 mAh/g for the bulk material and above 1000 mAh/g of Si have been observed.

  10. Extreme paths in oriented two-dimensional percolation


    Andjel, E. D.; Gray, L. F.


    International audience; A useful result about leftmost and rightmost paths in two dimensional bond percolation is proved. This result was introduced without proof in \\cite{G} in the context of the contact process in continuous time. As discussed here, it also holds for several related models, including the discrete time contact process and two dimensional site percolation. Among the consequences are a natural monotonicity in the probability of percolation between different sites and a somewha...

  11. Two Dimensional Nucleation Process by Monte Carlo Simulation


    T., Irisawa; K., Matsumoto; Y., Arima; T., Kan; Computer Center, Gakushuin University; Department of Physics, Gakushuin University


    Two dimensional nucleation process on substrate is investigated by Monte Carlo simulation, and the critical nucleus size and its waiting time are measured with a high accuracy. In order to measure the critical nucleus with a high accuracy, we calculate the attachment and the detachment rate to the nucleus directly, and define the critical nucleus size when both rate are equal. Using the kinematical nucleation theory by Nishioka, it is found that, our obtained kinematical two dimensional criti...

  12. Controlled Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers (United States)


    polymers . 2. Introduction . Research objectives: This research aims to study the physical (van der Waals forces: crystal epitaxy and π-π...AFRL-AFOSR-JP-TR-2016-0071 Controlled Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers Cheolmin Park YONSEI UNIVERSITY...Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA2386-14-1-4054 5c.  PROGRAM ELEMENT

  13. Two-Dimensional Weak Pseudomanifolds on Eight Vertices

    Indian Academy of Sciences (India)

    Basudeb Datta; Nandini Nilakantan


    We explicitly determine all the two-dimensional weak pseudomanifolds on 8 vertices. We prove that there are (up to isomorphism) exactly 95 such weak pseudomanifolds, 44 of which are combinatorial 2-manifolds. These 95 weak pseudomanifolds triangulate 16 topological spaces. As a consequence, we prove that there are exactly three 8-vertex two-dimensional orientable pseudomanifolds which allow degree three maps to the 4-vertex 2-sphere.


    Directory of Open Access Journals (Sweden)

    N. I. Nagirna


    Full Text Available The paper studies the morphology, conductivity and electrochemical properties of carbon materials, obtained from raw plant materials at different condition of hydrothermal carbonization, using low-temperature porometry, impedance spectroscopy and galvanostatic charge/discharge. It is set, that in porous structure of carbon materials micropores are dominant; when carbonization temperature increased the specific surface and pore volume decrease more than 10 times. The temperature growth results in increasing the electrical conductivity of the carbon material more than 6 orders. It is found, that the maximal value of specific capacity (1138 mА·h/g has an electrochemical system based on porous carbon carbonized at 1023 K.

  15. [Carbon fiber-reinforced plastics as implant materials]. (United States)

    Bader, R; Steinhauser, E; Rechl, H; Siebels, W; Mittelmeier, W; Gradinger, R


    Carbon fiber-reinforced plastics have been used clinically as an implant material for different applications for over 20 years.A review of technical basics of the composite materials (carbon fibers and matrix systems), fields of application,advantages (e.g., postoperative visualization without distortion in computed and magnetic resonance tomography), and disadvantages with use as an implant material is given. The question of the biocompatibility of carbon fiber-reinforced plastics is discussed on the basis of experimental and clinical studies. Selected implant systems made of carbon composite materials for treatments in orthopedic surgery such as joint replacement, tumor surgery, and spinal operations are presented and assessed. Present applications for carbon fiber reinforced plastics are seen in the field of spinal surgery, both as cages for interbody fusion and vertebral body replacement.

  16. Carbonization kinetics of La2O3-Mo cathode materials

    Institute of Scientific and Technical Information of China (English)

    王金淑; 周美玲; 左铁镛; 张久兴; 聂祚仁; 胡延槽


    The carbonization kinetics of La2O3-Mo cathode materials was studied by thermal analysis method. Three-stage model of the carbonization was presented. The carbonization rate is initially controlled by chemical reaction, then by chemical reaction mixed with diffusion, finally by diffusion. The experimental data are processed according to this model and the correlation coefficients of the kinetic curves are satisfactory. The apparent activation energy of carbonization of La2O3-Mo cathode materials was obtained. At the same time, the empirical expressions of the rate constant against temperature in the temperature range of 1393~1493K were deduced.

  17. Surface analysis of carbon black waste materials from tire residues (United States)

    Lee, W. H.; Kim, J. Y.; Ko, Y. K.; Reucroft, P. J.; Zondlo, J. W.


    X-ray photoelectron spectroscopy (XPS) has been used to obtain surface chemical state information on two carbon black waste materials in terms of the surface element distribution/concentration and chemical structure. Small amounts of sulfur in the form of CS 2 were detected on the surface (less than 1.7 mass %). C-H/C-C was the major carbon functional component on the surface of carbon black samples but other functional forms of carbon were also present such as CO and C-O. The surface of the carbon black obtained from a hydropyrolysis process was highly oxidized primarily in the form of carbon based oxygen groups. On the other hand, surface oxygen atoms on the surface of the carbon black obtained from a pyrolysis process in the absence of H 2 were in the form of both metal oxides and carbon based oxygen groups.

  18. Interactive mathematical model of self-healing in carbonated cementitious materials

    NARCIS (Netherlands)

    Zemskov, S.V.; Copuroglu, O.; Vermolen, F.J.


    A mathematical model for the post-damage recovery of carbonated cement is described. The model is based on a two-dimensional initial-boundary value problem for a system of partial differential equations. The study is embedded within the framework of investigating the effect of using lightweight expa

  19. Batteries: Recent Advances in Carbon Materials

    Directory of Open Access Journals (Sweden)

    I. Francis Cheng


    Full Text Available We welcome readers to this Special Issue of C. From the standpoint of economics of energy storage, carbon electrodes offer the practicality of large-scale applications with the promise of improved performance.[...

  20. Advanced Carbon Materials for Environmental and Energy Applications

    KAUST Repository

    Dua, Rubal


    Carbon based materials, including porous carbons and carbon layer composites, are finding increased usage in latest environmental and energy related research. Among porous carbon materials, hierarchical porous carbons with multi-modal porosity are proving out to be an effective solution for applications where the traditional activated carbons fail. Thus, there has been a lot of recent interest in developing low-cost, facile, easy to scale-up, synthesis techniques for producing such multi-modal porous carbons. This dissertation offers two novel synthesis techniques: (i) ice templating integrated with hard templating, and (ii) salt templating coupled with hard templating, for producing such hierarchically porous carbons. The techniques offer tight control and tunability of porosity (macro- meso- and microscale) in terms of both size and extent. The synthesized multi-modal porous carbons are shown to be an effective solution for three important environment related applications – (i) Carbon dioxide capture using amine supported hierarchical porous carbons, (ii) Reduction in irreversible fouling of membranes used for wastewater reuse through a deposition of a layer of hierarchical porous carbons on the membrane surface, (iii) Electrode materials for electrosorptive applications. Finally, because of their tunability, the synthesized multi-modal porous carbons serve as excellent model systems for understanding the effect of different types of porosity on the performance of porous carbons for these applications. Also, recently, there has been a lot of interest in developing protective layer coatings for preventing photo-corrosion of semiconductor structures (in particular Cu2O) used for photoelectrochemical water splitting. Most of the developed protective strategies to date involve the use of metals or co-catalyst in the protective layer. Thus there is a big need for developing low-cost, facile and easy to scale protective coating strategies. Based on the expertise

  1. Hydrothermal Synthesis and Characterization of a Novel Two-dimensional Framework Materials Constructed from Polyoxometalate and Coordination Groups:[H2Mo5.5V10.5O40(PO4)][Cu(en)2]4·7H2O

    Institute of Scientific and Technical Information of China (English)

    CUI Xiao-bing; ZHENG Shou-tian; SUN Yan-qiong; YANG Guo-yu


    A novel compound [H2Mo5.5V10.5O40(PO4)][Cu(en)2]4*7H2O(1) was synthesized from V2O5, MoO3, CuCl2*2H2O, en, H3PO4 and H2O in an aqueous solution via the hydrothermal method and characterized by means of single-crystal X-ray diffraction, elemental analyses, IR, EPR spectra and thermal analyses. C16H80Cu4Mo5.5N16O51PV10.5 crystallized in a triclinic system, the space group is P1 with M=2660.63, a=1.283590(10) nm, b=1.289910(10) nm, c=1.387870(10) nm, V=1.80942(2) nm3, Z=2, Dx=4.883 g/cm3, F(000)=2599, μ=6.956 mm-1, (Δ/σ)=0.000, S=1.089. The crystal structure was solved by the direct methods with the final R=0.0752 and wR=0.1988 for 6311 observed reflections with I≥2σ(I). The X-ray crystallography reveals that compound 1 is a novel two-dimensional framework material constructed from the mixed Mo/V polyoxometalate and coordination groups.

  2. Carbon as a hard template for nano material catalysts

    Institute of Scientific and Technical Information of China (English)

    Kake Zhu; Junming Sun; He Zhang; Jun Liu; Yong Wang


    As one of the naturally abundant elements,carbon can present in different molecular structures (allotropes) and thus lead to various physical/chemical properties of carbon-based materials which have found wide applications in a variety of fields including electrochemistry,optical,adsorption and catalysis,etc.On the other hand,its different allotropes also endow carbon-based materials with various morphostructures,which have been recently explored to prepare oxides and zeolites/zeotypes with tailored structures.In this review,we mainly summarize the recent advances in using carbon materials as hard templates to synthesize structural materials.Specifically,we focus on the development in the synthetic strategies,such as endotemplating,exotemplating approaches and using carbon materials as chemical reagents for the synthesis of metal carbides or nitrides,with an emphasis laid on the control of morphostructure.Meanwhile,the applications of the obtained materials will be highlighted,especially,in the field of heterogeneous catalysis where enhanced performances have been achieved with the materials derived from carbon-templated methods.

  3. Damage Mechanisms/Failure Mechanics of Carbon-Carbon Composite Materials. (United States)


    cutting method was used to minimize material waste, not because * carbon-carbon is difficult to machine . 2.2 Tension Testing 2.2.1 Specimen Configuration...was made to bond the strain gages to fiber bundles if possible rather than to a layer of matrix material. Ex- tensometers were also employed to measure

  4. Supercapacitors based on carbon materials and ionic liquids



    This paper presents performance of supercapacitor built from different carbon materials. The general principle of supercapacitor and formula connected with its operation are also described. The role of carbon nanotexture has been underlined selecting carbons prepared by template techniques. It has been demonstrated that mainly micropores and small mesopores play important role for charging of electrical double layer, however, interconnectivity of pores is crucial for charge propagation. The p...

  5. Floating zone growth and magnetic properties of Y2C two-dimensional electride (United States)

    Otani, Shigeki; Hirata, Kazuto; Adachi, Yutaka; Ohashi, Naoki


    The floating zone method was used to obtain single crystals several mm in size of the low-temperature rhombohedral form of Y2C rather than its typical rocksalt-type cubic form. This was achieved through optimization of the chemical compositions of the starting materials with the aim of producing a two-dimensional electride material. The crystals obtained exhibited a paramagnetic temperature-dependence at 1.8-300 K, with no trace of any obvious magnetic ordering.

  6. Effect of a Two-Dimensional Periodic Dielectric Background on Complete Photonic Band Gap in Complex Square Lattices

    Institute of Scientific and Technical Information of China (English)

    ZHANG Yan; SHI Jun-Jie


    A two-dimensional photonic crystal model with a periodic square dielectric background is proposed.The photonic band modulation effects due to the two-dimensional periodic background are investigated jn detail.It is found that periodic modulation of the dielectric background greatly alters photonic band structures,especially for the Epolarization modes.The number,width and position of the photonic band gaps sensitively depend on the dielectric constants of the two-dimensional periodic background.Complete band gaps are found,and the dependence of the widths of these gaps on the structural and material parameters of the two alternating rods/holes is studied.

  7. Two-dimensional solid-phase extraction strategy for the selective enrichment of aminoglycosides in milk. (United States)

    Shen, Aijin; Wei, Jie; Yan, Jingyu; Jin, Gaowa; Ding, Junjie; Yang, Bingcheng; Guo, Zhimou; Zhang, Feifang; Liang, Xinmiao


    An orthogonal two-dimensional solid-phase extraction strategy was established for the selective enrichment of three aminoglycosides including spectinomycin, streptomycin, and dihydrostreptomycin in milk. A reversed-phase liquid chromatography material (C18 ) and a weak cation-exchange material (TGA) were integrated in a single solid-phase extraction cartridge. The feasibility of two-dimensional clean-up procedure that experienced two-step adsorption, two-step rinsing, and two-step elution was systematically investigated. Based on the orthogonality of reversed-phase and weak cation-exchange procedures, the two-dimensional solid-phase extraction strategy could minimize the interference from the hydrophobic matrix existing in traditional reversed-phase solid-phase extraction. In addition, high ionic strength in the extracts could be effectively removed before the second dimension of weak cation-exchange solid-phase extraction. Combined with liquid chromatography and tandem mass spectrometry, the optimized procedure was validated according to the European Union Commission directive 2002/657/EC. A good performance was achieved in terms of linearity, recovery, precision, decision limit, and detection capability in milk. Finally, the optimized two-dimensional clean-up procedure incorporated with liquid chromatography and tandem mass spectrometry was successfully applied to the rapid monitoring of aminoglycoside residues in milk. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Two dimensional point of use fuel cell : a final LDRD project report.

    Energy Technology Data Exchange (ETDEWEB)

    Zavadil, Kevin Robert; Hickner, Michael A. (Pennsylvania State University, University Park, PA); Gross, Matthew L. (Pennsylvania State University, University Park, PA)


    The Proliferation Assessment (program area - Things Thin) within the Defense Systems and Assessment Investment Area desires high energy density and long-lived power sources with moderate currents (mA) that can be used as building blocks in platforms for the continuous monitoring of chemical, biological, and radiological agents. Fuel cells can be an optimum choice for a power source because of the high energy densities that are possible with liquid fuels. Additionally, power generation and fuel storage can be decoupled in a fuel cell for independent control of energy and power density for customized, application-driven power solutions. Direct methanol fuel cells (DMFC) are explored as a possible concept to develop into ultrathin or two-dimensional power sources. New developments in nanotechnology, advanced fabrication techniques, and materials science are exploited to create a planar DMFC that could be co-located with electronics in a chip format. Carbon nanotubes and pyrolyzed polymers are used as building block electrodes - porous, mechanically compliant current collectors. Directed assembly methods including surface functionalization and layer-by-layer deposition with polyelectrolytes are used to pattern, build, and add functionality to these electrodes. These same techniques are used to incorporate nanoscale selective electrocatalyst into the carbon electrodes to provide a high density of active electron transfer sites for the methanol oxidation and oxygen reduction reactions. The resulting electrodes are characterized in terms of their physical properties, electrocatalytic function, and selectivity to better understand how processing impacts their performance attributes. The basic function of a membrane electrode assembly is demonstrated for several prototype devices.

  9. Characterization of carbon fiber composite materials for RF applications (United States)

    Riley, Elliot J.; Lenzing, Erik H.; Narayanan, Ram M.


    Carbon Fiber Composite (CFC) materials have been used for decades in the aerospace, automotive, and naval industries. They have often been used because of their mechanical advantages. These advantageous characteristics have typically included low weight and high strength. It is also a benefit that CFC materials can be made into nearly any shape or size. With the abundant use of CFC materials, it seems desirable to better under- stand the electromagnetic applications of these materials. CFC materials consist of a non-conductive resin or epoxy in addition to conductive carbon fibers. The carbon fibers can be oriented and layered in many different configurations. The specific orientation and layering of the carbon fibers has a direct impact on its electrical characteristics. One specific characteristic of interest is the conductivity of CFC materials. The work in this paper deals with probing the conductivity characteristics of CFC materials for applications in antenna and radar design. Multiple layouts of carbon fiber are investigated. The DC conductivity was measured by applying a conductive epoxy to sample edges and using a milliohm meter. Shielding effectiveness was then predicted based on fundamental electromagnetics for conducting media. Finally, prototype dipole antennas made from CFC materials were investigated.

  10. Phthalocyanine-Carbon Nanostructure Materials Assembled through Supramolecular Interactions. (United States)

    Bottari, Giovanni; Suanzes, Juan A; Trukhina, Olga; Torres, Tomas


    The use of self-assembly for the construction of materials based on phthalocyanines and carbon nanostructures-fullerenes, single-walled carbon nanotubes, and graphene-has demonstrated to be a versatile strategy for the preparation of novel, multifunctional systems. Photophysical studies carried out on these photo- and electroactive supramolecular ensembles have revealed the occurrence of an efficient photoinduced electron-transfer process, thus paving the way for the utilization of these materials as active components in optoelectronic devices. This Perspective highlights the recent progress in the preparation of such materials and the potential use of these systems for the construction of nanostructured materials with singular physicochemical properties.

  11. The Dynamics of Water in Porous Two-Dimensional Crystals. (United States)

    Strong, Steven E; Eaves, Joel D


    Porous two-dimensional crystals offer many promises for water desalination applications. For computer simulation to play a predictive role in this area, however, one needs to have reliable methods for simulating an atomistic system with hydrodynamic currents and interpretative tools to relate microscopic interactions to emergent macroscopic dynamical quantities, such as friction, slip length, and permeability. In this article, we use Gaussian dynamics, a nonequilibrium molecular dynamics method that provides microscopic insights into the interactions that control the flows of both simple liquids and liquid water through atomically small channels. In simulations of aqueous transport, we mimic the effect of changing the membrane chemical composition by adjusting the attractive strength of the van der Waals interactions between the membrane atoms and water. We find that the wetting contact angle, a common measure of a membrane's hydrophobicity, does not predict the permeability of a membrane. Instead, the hydrophobic effect is subtle, with both static and dynamic effects that can both help and hinder water transport through these materials. The competition between the static and dynamical hydrophobicity balances an atomic membrane's tendency to wet against hydrodynamic friction, and determines an optimal contact angle for water passage through nonpolar membranes. To a reasonable approximation, the optimal contact angle depends only on the aspect ratio of the pore. We also find that water molecules pass through the most hydrophobic membranes in a punctuated series of bursts that are separated by long pauses. A continuous-time Markov model of these data provides evidence of a molecular analogue to the clogging transition, a phenomenon observed in driven granular flows.

  12. Two-dimensional graphene analogues for biomedical applications. (United States)

    Chen, Yu; Tan, Chaoliang; Zhang, Hua; Wang, Lianzhou


    The increasing demand of clinical biomedicine and fast development of nanobiotechnology has substantially promoted the generation of a variety of organic/inorganic nanosystems for biomedical applications. Biocompatible two-dimensional (2D) graphene analogues (e.g., nanosheets of transition metal dichalcogenides, transition metal oxides, g-C3N4, Bi2Se3, BN, etc.), which are referred to as 2D-GAs, have emerged as a new unique family of nanomaterials that show unprecedented advantages and superior performances in biomedicine due to their unique compositional, structural and physicochemical features. In this review, we summarize the state-of-the-art progress of this dynamically developed material family with a particular focus on biomedical applications. After the introduction, the second section of the article summarizes a range of synthetic methods for new types of 2D-GAs as well as their surface functionalization. The subsequent section provides a snapshot on the use of these biocompatible 2D-GAs for a broad spectrum of biomedical applications, including therapeutic (photothermal/photodynamic therapy, chemotherapy and synergistic therapy), diagnostic (fluorescent/magnetic resonance/computed tomography/photoacoustic imaging) and theranostic (concurrent diagnostic imaging and therapy) applications, especially on oncology. In addition, we briefly present the biosensing applications of these 2D-GAs for the detection of biomacromolecules and their in vitro/in vivo biosafety evaluations. The last section summarizes some critical unresolved issues, possible challenges/obstacles and also proposes future perspectives related to the rational design and construction of 2D-GAs for biomedical engineering, which are believed to promote their clinical translations for benefiting the personalized medicine and human health.

  13. Tracking dynamics of two-dimensional continuous attractor neural networks (United States)

    Fung, C. C. Alan; Wong, K. Y. Michael; Wu, Si


    We introduce an analytically solvable model of two-dimensional continuous attractor neural networks (CANNs). The synaptic input and the neuronal response form Gaussian bumps in the absence of external stimuli, and enable the network to track external stimuli by its translational displacement in the two-dimensional space. Basis functions of the two-dimensional quantum harmonic oscillator in polar coordinates are introduced to describe the distortion modes of the Gaussian bump. The perturbative method is applied to analyze its dynamics. Testing the method by considering the network behavior when the external stimulus abruptly changes its position, we obtain results of the reaction time and the amplitudes of various distortion modes, with excellent agreement with simulation results.

  14. Hamiltonian formalism of two-dimensional Vlasov kinetic equation. (United States)

    Pavlov, Maxim V


    In this paper, the two-dimensional Benney system describing long wave propagation of a finite depth fluid motion and the multi-dimensional Russo-Smereka kinetic equation describing a bubbly flow are considered. The Hamiltonian approach established by J. Gibbons for the one-dimensional Vlasov kinetic equation is extended to a multi-dimensional case. A local Hamiltonian structure associated with the hydrodynamic lattice of moments derived by D. J. Benney is constructed. A relationship between this hydrodynamic lattice of moments and the two-dimensional Vlasov kinetic equation is found. In the two-dimensional case, a Hamiltonian hydrodynamic lattice for the Russo-Smereka kinetic model is constructed. Simple hydrodynamic reductions are presented.

  15. Control Operator for the Two-Dimensional Energized Wave Equation

    Directory of Open Access Journals (Sweden)

    Sunday Augustus REJU


    Full Text Available This paper studies the analytical model for the construction of the two-dimensional Energized wave equation. The control operator is given in term of space and time t independent variables. The integral quadratic objective cost functional is subject to the constraint of two-dimensional Energized diffusion, Heat and a source. The operator that shall be obtained extends the Conjugate Gradient method (ECGM as developed by Hestenes et al (1952, [1]. The new operator enables the computation of the penalty cost, optimal controls and state trajectories of the two-dimensional energized wave equation when apply to the Conjugate Gradient methods in (Waziri & Reju, LEJPT & LJS, Issues 9, 2006, [2-4] to appear in this series.

  16. Two-Dimensional Electronic Spectroscopy Using Incoherent Light: Theoretical Analysis

    CERN Document Server

    Turner, Daniel B; Sutor, Erika J; Hendrickson, Rebecca A; Gealy, M W; Ulness, Darin J


    Electronic energy transfer in photosynthesis occurs over a range of time scales and under a variety of intermolecular coupling conditions. Recent work has shown that electronic coupling between chromophores can lead to coherent oscillations in two-dimensional electronic spectroscopy measurements of pigment-protein complexes measured with femtosecond laser pulses. A persistent issue in the field is to reconcile the results of measurements performed using femtosecond laser pulses with physiological illumination conditions. Noisy-light spectroscopy can begin to address this question. In this work we present the theoretical analysis of incoherent two-dimensional electronic spectroscopy, I(4) 2D ES. Simulations reveal diagonal peaks, cross peaks, and coherent oscillations similar to those observed in femtosecond two-dimensional electronic spectroscopy experiments. The results also expose fundamental differences between the femtosecond-pulse and noisy-light techniques; the differences lead to new challenges and opp...

  17. Two dimensional convolute integers for machine vision and image recognition (United States)

    Edwards, Thomas R.


    Machine vision and image recognition require sophisticated image processing prior to the application of Artificial Intelligence. Two Dimensional Convolute Integer Technology is an innovative mathematical approach for addressing machine vision and image recognition. This new technology generates a family of digital operators for addressing optical images and related two dimensional data sets. The operators are regression generated, integer valued, zero phase shifting, convoluting, frequency sensitive, two dimensional low pass, high pass and band pass filters that are mathematically equivalent to surface fitted partial derivatives. These operators are applied non-recursively either as classical convolutions (replacement point values), interstitial point generators (bandwidth broadening or resolution enhancement), or as missing value calculators (compensation for dead array element values). These operators show frequency sensitive feature selection scale invariant properties. Such tasks as boundary/edge enhancement and noise or small size pixel disturbance removal can readily be accomplished. For feature selection tight band pass operators are essential. Results from test cases are given.

  18. Carbon Nanotubes: Miracle of Materials Science? (United States)

    Files, Bradley S.; Mayeaux, Brian M.


    Article to be sent to Advanced Materials and Processes, journal of ASM International, as attached. This is a news-type technical journal for a large organization of scientists, engineers, salesmen, and managers. The article is quite general, meant to be an introduction to the properties of nanotubes. This is a materials science organization, therefore the article is geared toward using nanotubes for materials uses. Pictures have not been included in this version.

  19. A Method to Formulate the Unit Cell for Density Functional Theory (DFT) Calculations of the Electronic Band Structure of Heterostructures of Two-dimensional Nanosheets (United States)


    distribution is unlimited. i CONTENTS Page Introduction 1 Two-dimensional Material Geometry and Analogs with Close-packed Systems 1 Matching...distribution is unlimited. 1 INTRODUCTION Two-dimensional (2D) material heterostructures offer novel and compelling electronic and optical...methods have undoubtedly been created for matching lattice constants of dissimilar nanomaterials , very few are actually covered explicitly in literature

  20. TreePM Method for Two-Dimensional Cosmological Simulations

    Indian Academy of Sciences (India)

    Suryadeep Ray


    We describe the two-dimensional TreePM method in this paper. The 2d TreePM code is an accurate and efficient technique to carry out large two-dimensional N-body simulations in cosmology. This hybrid code combines the 2d Barnes and Hut Tree method and the 2d Particle–Mesh method. We describe the splitting of force between the PM and the Tree parts. We also estimate error in force for a realistic configuration. Finally, we discuss some tests of the code.

  1. Singular analysis of two-dimensional bifurcation system

    Institute of Scientific and Technical Information of China (English)


    Bifurcation properties of two-dimensional bifurcation system are studied in this paper.Universal unfolding and transition sets of the bifurcation equations are obtained.The whole parametric plane is divided into several different persistent regions according to the type of motion,and the different qualitative bifurcation diagrams in different persistent regions are given.The bifurcation properties of the two-dimensional bifurcation system are compared with its reduced one-dimensional system.It is found that the system which is reduced to one dimension has lost many bifurcation properties.

  2. Nonlinear excitations in two-dimensional molecular structures with impurities

    DEFF Research Database (Denmark)

    Gaididei, Yuri Borisovich; Rasmussen, Kim; Christiansen, Peter Leth


    We study the nonlinear dynamics of electronic excitations interacting with acoustic phonons in two-dimensional molecular structures with impurities. We show that the problem is reduced to the nonlinear Schrodinger equation with a varying coefficient. The latter represents the influence of the imp......We study the nonlinear dynamics of electronic excitations interacting with acoustic phonons in two-dimensional molecular structures with impurities. We show that the problem is reduced to the nonlinear Schrodinger equation with a varying coefficient. The latter represents the influence...... excitations. Analytical results are in good agreement with numerical simulations of the nonlinear Schrodinger equation....

  3. Vortices in the Two-Dimensional Simple Exclusion Process (United States)

    Bodineau, T.; Derrida, B.; Lebowitz, Joel L.


    We show that the fluctuations of the partial current in two dimensional diffusive systems are dominated by vortices leading to a different scaling from the one predicted by the hydrodynamic large deviation theory. This is supported by exact computations of the variance of partial current fluctuations for the symmetric simple exclusion process on general graphs. On a two-dimensional torus, our exact expressions are compared to the results of numerical simulations. They confirm the logarithmic dependence on the system size of the fluctuations of the partial flux. The impact of the vortices on the validity of the fluctuation relation for partial currents is also discussed in an Appendix.

  4. Two-dimensional hazard estimation for longevity analysis

    DEFF Research Database (Denmark)

    Fledelius, Peter; Guillen, M.; Nielsen, J.P.


    the two-dimensional mortality surface. Furthermore we look at aggregated synthetic population metrics as 'population life expectancy' and 'population survival probability'. For Danish women these metrics indicate decreasing mortality with respect to chronological time. The metrics can not directly be used......We investigate developments in Danish mortality based on data from 1974-1998 working in a two-dimensional model with chronological time and age as the two dimensions. The analyses are done with non-parametric kernel hazard estimation techniques. The only assumption is that the mortality surface...... for analysis of economic implications arising from mortality changes....

  5. Field analysis of two-dimensional focusing grating couplers (United States)

    Borsboom, P.-P.; Frankena, H. J.


    A different technique was developed by which several two-dimensional dielectric optical gratings, consisting 100 or more corrugations, were treated in a numerical reliable approach. The numerical examples that were presented were restricted to gratings made up of sequences of waveguide sections symmetric about the x = 0 plane. The newly developed method was effectively used to investigate the field produced by a two-dimensional focusing grating coupler. Focal-region fields were determined for three symmetrical gratings with 19, 50, and 124 corrugations. For focusing grating coupler with limited length, high-frequency intensity variations were noted in the focal region.

  6. Self-assembly of two-dimensional DNA crystals

    Institute of Scientific and Technical Information of China (English)

    SONG Cheng; CHEN Yaqing; WEI Shuai; YOU Xiaozeng; XIAO Shoujun


    Self-assembly of synthetic oligonucleotides into two-dimensional lattices presents a 'bottom-up' approach to the fabrication of devices on nanometer scale. We report the design and observation of two-dimensional crystalline forms of DNAs that are composed of twenty-one plane oligonucleotides and one phosphate-modified oligonucleotide. These synthetic sequences are designed to self-assemble into four double-crossover (DX) DNA tiles. The 'sticky ends' of these tiles that associate according to Watson-Crick's base pairing are programmed to build up specific periodic patterns upto tens of microns. The patterned crystals are visualized by the transmission electron microscopy.

  7. Dynamics of vortex interactions in two-dimensional flows

    DEFF Research Database (Denmark)

    Juul Rasmussen, J.; Nielsen, A.H.; Naulin, V.


    a critical value, a(c). Using the Weiss-field, a(c) is estimated for vortex patches. Introducing an effective radius for vortices with distributed vorticity, we find that 3.3 a(c) ...The dynamics and interaction of like-signed vortex structures in two dimensional flows are investigated by means of direct numerical solutions of the two-dimensional Navier-Stokes equations. Two vortices with distributed vorticity merge when their distance relative to their radius, d/R-0l. is below...

  8. Two-dimensional assignment with merged measurements using Langrangrian relaxation (United States)

    Briers, Mark; Maskell, Simon; Philpott, Mark


    Closely spaced targets can result in merged measurements, which complicate data association. Such merged measurements violate any assumption that each measurement relates to a single target. As a result, it is not possible to use the auction algorithm in its simplest form (or other two-dimensional assignment algorithms) to solve the two-dimensional target-to-measurement assignment problem. We propose an approach that uses the auction algorithm together with Lagrangian relaxation to incorporate the additional constraints resulting from the presence of merged measurements. We conclude with some simulated results displaying the concepts introduced, and discuss the application of this research within a particle filter context.

  9. Two-dimensional lattice Boltzmann model for magnetohydrodynamics. (United States)

    Schaffenberger, Werner; Hanslmeier, Arnold


    We present a lattice Boltzmann model for the simulation of two-dimensional magnetohydro dynamic (MHD) flows. The model is an extension of a hydrodynamic lattice Boltzman model with 9 velocities on a square lattice resulting in a model with 17 velocities. Earlier lattice Boltzmann models for two-dimensional MHD used a bidirectional streaming rule. However, the use of such a bidirectional streaming rule is not necessary. In our model, the standard streaming rule is used, allowing smaller viscosities. To control the viscosity and the resistivity independently, a matrix collision operator is used. The model is then applied to the Hartmann flow, giving reasonable results.

  10. Quasinormal frequencies of asymptotically flat two-dimensional black holes

    CERN Document Server

    Lopez-Ortega, A


    We discuss whether the minimally coupled massless Klein-Gordon and Dirac fields have well defined quasinormal modes in single horizon, asymptotically flat two-dimensional black holes. To get the result we solve the equations of motion in the massless limit and we also calculate the effective potentials of Schrodinger type equations. Furthermore we calculate exactly the quasinormal frequencies of the Dirac field propagating in the two-dimensional uncharged Witten black hole. We compare our results on its quasinormal frequencies with other already published.

  11. Spin dynamics in a two-dimensional quantum gas

    DEFF Research Database (Denmark)

    Pedersen, Poul Lindholm; Gajdacz, Miroslav; Deuretzbacher, Frank


    We have investigated spin dynamics in a two-dimensional quantum gas. Through spin-changing collisions, two clouds with opposite spin orientations are spontaneously created in a Bose-Einstein condensate. After ballistic expansion, both clouds acquire ring-shaped density distributions with superimp......We have investigated spin dynamics in a two-dimensional quantum gas. Through spin-changing collisions, two clouds with opposite spin orientations are spontaneously created in a Bose-Einstein condensate. After ballistic expansion, both clouds acquire ring-shaped density distributions...

  12. Structural features of carbon materials synthesized by different methods (United States)

    Streletskii, O. A.; Ivanenko, I. P.; Khvostov, V. V.; Savchenko, N. F.; Nishchak, O. Yu.; Aleksandrov, A. F.


    This paper presents the results of investigations of three types of carbon structures synthesized by different methods, such as arc discharge plasma enhanced chemical vapor deposition of carbon in a magnetic field, chemical dehydrohalogenation of the poly(vinyl chloride)/poly(vinylidene chloride) precursor, and pulsed plasma ion assisted deposition. It has been found that the samples prepared by different methods have a common feature, i.e., the presence of three-dimensional clusters based on sp 2- or sp 3-bonds surrounded by quasi-one-dimensional carbon chains. It has been shown that the structure of carbon materials changes depending on the synthesis conditions.

  13. Functional carbon nitride materials — design strategies for electrochemical devices (United States)

    Kessler, Fabian K.; Zheng, Yun; Schwarz, Dana; Merschjann, Christoph; Schnick, Wolfgang; Wang, Xinchen; Bojdys, Michael J.


    In the past decade, research in the field of artificial photosynthesis has shifted from simple, inorganic semiconductors to more abundant, polymeric materials. For example, polymeric carbon nitrides have emerged as promising materials for metal-free semiconductors and metal-free photocatalysts. Polymeric carbon nitride (melon) and related carbon nitride materials are desirable alternatives to industrially used catalysts because they are easily synthesized from abundant and inexpensive starting materials. Furthermore, these materials are chemically benign because they do not contain heavy metal ions, thereby facilitating handling and disposal. In this Review, we discuss the building blocks of carbon nitride materials and examine how strategies in synthesis, templating and post-processing translate from the molecular level to macroscopic properties, such as optical and electronic bandgap. Applications of carbon nitride materials in bulk heterojunctions, laser-patterned memory devices and energy storage devices indicate that photocatalytic overall water splitting on an industrial scale may be realized in the near future and reveal a new avenue of 'post-silicon electronics'.

  14. A study on the cytotoxicity of carbon-based materials. (United States)

    Saha, Dipendu; Heldt, Caryn L; Gencoglu, Maria F; Vijayaragavan, K Saagar; Chen, Jihua; Saksule, Ashish


    With an aim to understand the origin and key contributing factors towards carbon-induced cytotoxicity, we have studied five different carbon samples with diverse surface area, pore width, shape and size, conductivity and surface functionality. All the carbon materials were characterized with surface area and pore size distribution, X-ray photoelectron spectroscopy (XPS) and electron microscopic imaging. We performed cytotoxicity study in Caco-2 cells by colorimetric assay, oxidative stress analysis by reactive oxygen species (ROS) detection, cellular metabolic activity measurement by adenosine triphosphate (ATP) depletion and visualization of cellular internalization by TEM imaging. The carbon materials demonstrated a varying degree of cytotoxicity in contact with Caco-2 cells. The lowest cell survival rate was observed for nanographene, which possessed the minimal size amongst all the carbon samples under this study. None of the carbons induced oxidative stress to the cells as indicated by the ROS generation results. Cellular metabolic activity study revealed that the carbon materials caused ATP depletion in cells and nanographene caused the highest depletion. Visual observation by TEM imaging indicated the cellular internalization of nanographene. This study confirmed that the size is the key cause of carbon-induced cytotoxicity and it is probably caused by the ATP depletion within the cell. Copyright © 2016 Elsevier B.V. All rights reserved.

  15. Status of Biomass Derived Carbon Materials for Supercapacitor Application

    Directory of Open Access Journals (Sweden)

    Talam Kibona Enock


    Full Text Available Environmental concerns and energy security uncertainties associated with fossil fuels have driven the world to shift to renewable energy sources. However, most renewable energy sources with exception of hydropower are intermittent in nature and thus need storage systems. Amongst various storage systems, supercapacitors are the promising candidates for energy storage not only in renewable energies but also in hybrid vehicles and portable devices due to their high power density. Supercapacitor electrodes are almost invariably made of carbon derived from biomass. Several reviews had been focused on general carbon materials for supercapacitor electrode. This review is focused on understanding the extent to which different types of biomasses have been used as porous carbon materials for supercapacitor electrodes. It also details hydrothermal microwave assisted, ionothermal, and molten salts carbonization as techniques of synthesizing activated carbon from biomasses as well as their characteristics and their impacts on electrochemical performance.

  16. Laser irradiation of carbon-tungsten materials (United States)

    Marcu, A.; Avotina, L.; Marin, A.; Lungu, C. P.; Grigorescu, C. E. A.; Demitri, N.; Ursescu, D.; Porosnicu, C.; Osiceanu, P.; Kizane, G.; Grigoriu, C.


    Carbon-tungsten layers deposited on graphite by thermionic vacuum arc (TVA) were directly irradiated with a femtosecond terawatt laser. The morphological and structural changes produced in the irradiated area by different numbers of pulses were systematically explored, both along the spots and in their depths. Although micro-Raman and Synchrotron-x-ray diffraction investigations have shown no carbide formation, they have shown the unexpected presence of embedded nano-diamonds in the areas irradiated with high fluencies. Scanning electron microscopy images show a cumulative effect of the laser pulses on the morphology through the ablation process. The micro-Raman spatial mapping signalled an increased percentage of sp3 carbon bonding in the areas irradiated with laser fluencies around the ablation threshold. In-depth x-ray photoelectron spectroscopy investigations suggested a weak cumulative effect on the percentage increase of the sp2-sp3 transitions with the number of laser pulses just for nanometric layer thicknesses.

  17. Disparate Strain Dependent Thermal Conductivity of Two-dimensional Penta-Structures. (United States)

    Liu, Huake; Qin, Guangzhao; Lin, Yuan; Hu, Ming


    Two-dimensional (2D) carbon allotrope called penta-graphene was recently proposed from first-principles calculations and various similar penta-structures emerged. Despite significant effort having been dedicated to electronic structures and mechanical properties, little research has been focused on thermal transport in penta-structures. Motivated by this, we performed a comparative study of thermal transport properties of three representative pentagonal structures, namely penta-graphene, penta-SiC2, and penta-SiN2, by solving the phonon Boltzmann transport equation with interatomic force constants extracted from first-principles calculations. Unexpectedly, the thermal conductivity of the three penta-structures exhibits diverse strain dependence, despite their very similar geometry structures. While the thermal conductivity of penta-graphene exhibits standard monotonic reduction by stretching, penta-SiC2 possesses an unusual nonmonotonic up-and-down behavior. More interestingly, the thermal conductivity of penta-SiN2 has 1 order of magnitude enhancement due to the strain induced buckled to planar structure transition. The mechanism governing the diverse strain dependence is identified as the competition between the change of phonon group velocity and phonon lifetime of acoustic phonon modes with combined effect from the unique structure transition for penta-SiN2. The disparate thermal transport behavior is further correlated to the fundamentally different bonding nature in the atomic structures with solid evidence from the distribution of deformation charge density and more in-depth molecular orbital analysis. The reported giant and robust tunability of thermal conductivity may inspire intensive research on other derivatives of penta-structures as potential materials for emerging nanoelectronic devices. The fundamental physics understood from this study also solidifies the strategy to engineer thermal transport properties of broad 2D materials by simple mechanical

  18. Conductive two-dimensional titanium carbide `clay' with high volumetric capacitance (United States)

    Ghidiu, Michael; Lukatskaya, Maria R.; Zhao, Meng-Qiang; Gogotsi, Yury; Barsoum, Michel W.


    Safe and powerful energy storage devices are becoming increasingly important. Charging times of seconds to minutes, with power densities exceeding those of batteries, can in principle be provided by electrochemical capacitors--in particular, pseudocapacitors. Recent research has focused mainly on improving the gravimetric performance of the electrodes of such systems, but for portable electronics and vehicles volume is at a premium. The best volumetric capacitances of carbon-based electrodes are around 300 farads per cubic centimetre; hydrated ruthenium oxide can reach capacitances of 1,000 to 1,500 farads per cubic centimetre with great cyclability, but only in thin films. Recently, electrodes made of two-dimensional titanium carbide (Ti3C2, a member of the `MXene' family), produced by etching aluminium from titanium aluminium carbide (Ti3AlC2, a `MAX' phase) in concentrated hydrofluoric acid, have been shown to have volumetric capacitances of over 300 farads per cubic centimetre. Here we report a method of producing this material using a solution of lithium fluoride and hydrochloric acid. The resulting hydrophilic material swells in volume when hydrated, and can be shaped like clay and dried into a highly conductive solid or rolled into films tens of micrometres thick. Additive-free films of this titanium carbide `clay' have volumetric capacitances of up to 900 farads per cubic centimetre, with excellent cyclability and rate performances. This capacitance is almost twice that of our previous report, and our synthetic method also offers a much faster route to film production as well as the avoidance of handling hazardous concentrated hydrofluoric acid.

  19. Conductive two-dimensional titanium carbide 'clay' with high volumetric capacitance. (United States)

    Ghidiu, Michael; Lukatskaya, Maria R; Zhao, Meng-Qiang; Gogotsi, Yury; Barsoum, Michel W


    Safe and powerful energy storage devices are becoming increasingly important. Charging times of seconds to minutes, with power densities exceeding those of batteries, can in principle be provided by electrochemical capacitors--in particular, pseudocapacitors. Recent research has focused mainly on improving the gravimetric performance of the electrodes of such systems, but for portable electronics and vehicles volume is at a premium. The best volumetric capacitances of carbon-based electrodes are around 300 farads per cubic centimetre; hydrated ruthenium oxide can reach capacitances of 1,000 to 1,500 farads per cubic centimetre with great cyclability, but only in thin films. Recently, electrodes made of two-dimensional titanium carbide (Ti3C2, a member of the 'MXene' family), produced by etching aluminium from titanium aluminium carbide (Ti3AlC2, a 'MAX' phase) in concentrated hydrofluoric acid, have been shown to have volumetric capacitances of over 300 farads per cubic centimetre. Here we report a method of producing this material using a solution of lithium fluoride and hydrochloric acid. The resulting hydrophilic material swells in volume when hydrated, and can be shaped like clay and dried into a highly conductive solid or rolled into films tens of micrometres thick. Additive-free films of this titanium carbide 'clay' have volumetric capacitances of up to 900 farads per cubic centimetre, with excellent cyclability and rate performances. This capacitance is almost twice that of our previous report, and our synthetic method also offers a much faster route to film production as well as the avoidance of handling hazardous concentrated hydrofluoric acid.

  20. On some classes of two-dimensional local models in discrete two-dimensional monatomic FPU lattice with cubic and quartic potential

    Institute of Scientific and Technical Information of China (English)

    Xu Quan; Tian Qiang


    This paper discusses the two-dimensional discrete monatomic Fermi-Pasta-Ulam lattice, by using the method of multiple-scale and the quasi-discreteness approach. By taking into account the interaction between the atoms in the lattice and their nearest neighbours, it obtains some classes of two-dimensional local models as follows: two-dimensional bright and dark discrete soliton trains, two-dimensional bright and dark line discrete breathers, and two-dimensional bright and dark discrete breather.