• Organic Radical-Assisted Electrochemical Exfoliation for the Scalable Production of High-Quality Graphene. (mpg.de)
  • We focus here on the emerging use of liquid Cu catalysts, which have high potential for fast and efficient industrial-scale production of high-quality graphene. (aip.org)
  • There are two features that make graphene exceptional," says Kirill Bolotin, who has just joined the Vanderbilt department of physics and astronomy as an assistant professor. (vanderbilt.edu)
  • Since scientists figured out how to make graphene five years ago, they have been trying to get it to exhibit this effect with only marginal success. (vanderbilt.edu)
  • These remarkable properties make graphene the ideal support film for electron microscopy. (emsdiasum.com)
  • These attributes make graphene the world's toughest known material, a staggering 200 times stronger than steel. (bbntimes.com)
  • Polymer-based graphene composite materials and Graphene nanoribbons, etc by chemical methods. (eurekaselect.com)
  • For example, growing silver (Ag) films on the superconducting niobium (Nb) surface, synthesizing graphene nanoribbons (GNRs) on top of Ag films, and most importantly, investigating interactions between GNRs and the Ag/Nb substrate. (eucor-uni.org)
  • An illustration of the molecular structure of graphene nanoribbons produced by UCLA scientists. (ucla.edu)
  • Now, UCLA chemists have developed a new method to produce nanoribbons of graphene, next-generation structures that many scientists believe will one day power electronic devices. (ucla.edu)
  • The nanoribbons are extremely narrow strips of graphene, the width of just a few carbon atoms. (ucla.edu)
  • Rubin and his research team constructed graphene nanoribbons molecule by molecule using a simple reaction based on ultraviolet light and exposure to 600-degree heat. (ucla.edu)
  • The process improves upon other existing methods for creating graphene nanoribbons, one of which involves snipping open tubes of graphene known as carbon nanotubes. (ucla.edu)
  • The process, which took about an hour, yielded graphene nanoribbons just eight carbon atoms wide but thousands of atoms long. (ucla.edu)
  • The scientists verified the molecular structure of the nanoribbons, which were deep black in color and lustrous, by shining light of different wavelengths at them. (ucla.edu)
  • Ab initio molecular dynamics (ab initio MD) is a computational method that uses first principles, or fundamental laws of nature, to simulate the motion of atoms in a system. (wikipedia.org)
  • It is a type of molecular dynamics (MD) simulation that does not rely on empirical potentials or force fields to describe the interactions between atoms, but rather calculates these interactions directly from the electronic structure of the system using quantum mechanics. (wikipedia.org)
  • Now, the hottest new material in physics and nanotechnology is graphene: a remarkably flat molecule made of carbon atoms arranged in hexagonal rings much like molecular chicken wire. (vanderbilt.edu)
  • Graphene is a single atomic layer of carbon atoms tightly packed in a two-dimensional honeycomb lattice. (emsdiasum.com)
  • This novel material is atomically thin, chemically inert, consists of light atoms, and possesses a highly ordered structure. (emsdiasum.com)
  • Although they look and behave very differently, on a molecular level, the only difference between diamonds and coal is how their atoms are arranged. (bbntimes.com)
  • A research team has now directly measured the so-called Kondo effect, which governs the behavior of magnetic atoms surrounded by a sea of electrons: New observations with a scanning tunneling microscope reveal the effect in one-dimensional wires floating on graphene. (sciencedaily.com)
  • If you imagine that the structure of the carbon atoms make up lots of little pentagons and hexagons. (teen-hot.com)
  • However, even such structures were still too thick for the diffraction of molecules composed of dozens of atoms. (nanowerk.com)
  • As a monatomic layer of carbon atoms in a honeycomb lattice, graphene possesses extraordinary mechanical properties in addition to other amazing properties. (mdpi.com)
  • The crystals locked the molecules into the perfect orientation to react, and the team then used light to stitch the molecules into polymers, which are large structures made of repeating units of carbon and hydrogen atoms. (ucla.edu)
  • Functionalized carbon nanotube and graphene oxide embedded electrically conductive hydrogel synergistically stimulates nerve cell differentiation. (nature.com)
  • Biopersistence of carbon nanotube s, graphene oxide (GO) and several other types of carbonaceous nanomaterial s is an essential determinant of their health effects. (cdc.gov)
  • graphene antidot lattices, carbon chains, carbon nanotube devices). (dtu.dk)
  • Identifying local structure in molecular simulations is of utmost importance. (osti.gov)
  • Using ideas from computer vision, we adapt a specific type of neural network called a PointNet to identify local structural environments in molecular simulations. (osti.gov)
  • Our results suggest the approach will be broadly applicable to many types of local structure in simulations. (osti.gov)
  • article{osti_1542673, title = {A generalized deep learning approach for local structure identification in molecular simulations}, author = {DeFever, Ryan S. and Targonski, Colin and Hall, Steven W. and Smith, Melissa C. and Sarupria, Sapna}, abstractNote = {Identifying local structure in molecular simulations is of utmost importance. (osti.gov)
  • Molecular dynamics (MD) simulations with INTERFACE and reactive INTERFACE force fields (IFF and IFF-R) were used to predict bulk and Young's moduli of amorphous PA6-CNT/G nanocomposites as a function of CNT/G loading. (dtic.mil)
  • In the present work, the adsorption performance and the mechanism of a CO 2 /CH 4 binary mixture in realistic shale kerogen were explored by employing grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations. (mdpi.com)
  • Molecular dynamics (MD) computer simulations are used routinely to compute atomistic trajectories of complex systems. (jyu.fi)
  • To overcome this limitation, we implemented an alternative scheme for interpolating the Hamiltonians of the protonation states that makes the constant pH molecular dynamics simulations almost as fast as a normal MD simulation with GROMACS. (jyu.fi)
  • With the combination of a more efficient interpolation scheme and multisite representation of titratable groups, we anticipate a rapid uptake of constant pH molecular dynamics simulations within the GROMACS user community. (jyu.fi)
  • 2013-4-15 · The Nanotube Builder plugin generates SWCN structures of arbitrary length and chirality for the purpose of molecular simulations or nanoscience education. (teen-hot.com)
  • The researchers explored this process through molecular dynamics simulations of the growth of a number of such structures. (epj.org)
  • The ultrahigh-quality graphene produced by the substrate-free gas-phase method [1, 2] has enabled the unsurpassed TEM imaging of organic molecules and the interfaces between soft and hard nanomaterials. (emsdiasum.com)
  • Our graphene provides an invisible, crystalline background that enables the unrivaled TEM characterization of organic and inorganic nanomaterials. (emsdiasum.com)
  • My current research is focused on the investigation of the hydrodynamic regime in nanomaterials (graphene and 2DEGs). (eucor-uni.org)
  • Projects currently underway at the Centre for NanoScience Research examine the optical properties of nanomaterials and the structure-function relationships in photosynthetic pigment-protein complexes. (concordia.ca)
  • Workplace exposure assessment of BNNT from two manufacturing facilities measured boron concentrations in personal breathing zones from non-detectable to 0.95g/m3 and TEM structure counts of 0.0123 0.0094 structures/cm3, concentrations well below what was found with other engineered high aspect ratio nanomaterials like carbon nanotubes and nanofibers. (cdc.gov)
  • The resulting graphene monolayer creates a novel periodically corrugated pattern on Fe(110). (lu.se)
  • We identify, explain, and characterize in atomic-level detail the different failure mechanisms of the above bilayer structures. (umass.edu)
  • The structural and electronic properties of the embedded state revealed in our work provide the atomic-scale information needed to develop effective models to explain the special growth observed in experiments where various interesting phenomena such as flake self-assembly and rotational alignment, high growth speeds, and low defect densities in the final graphene product have been observed. (aip.org)
  • However, it has not been possible to observe molecular surface layers and their interfaces with nanoparticles at the atomic level. (emsdiasum.com)
  • This graphene was used to directly image gold nanoparticles and their organic surface molecules in both conventional and atomic-resolution TEMs at a level that greatly surpasses any current TEM support film[3]. (emsdiasum.com)
  • Graphene shows sp2 hybridization and an extremely thin atomic thickness of approximately 0.345Nm. (eurekaselect.com)
  • My project is about using the scanning probe microscopy to investigate atomic structures and molecular assemblies on the superconducting material. (eucor-uni.org)
  • Graphene and graphene derivatives (e.g., graphene oxide (GO)) have been incorporated into hydrogels to improve the properties (e.g., mechanical strength) of conventional hydrogels and/or develop new functions (e.g., electrical conductivity and drug loading/delivery). (nature.com)
  • Scaling up the production of functional reduced graphene oxide (rGO) and its composites requires the use of low-cost, simple, and sustainable synthesis methods, and renewable feedstocks. (ebsco.com)
  • In addition to degrading nitrogen oxide, researchers found the new compound to effectively degrade rhodamine B, which is similar to the molecular structure of air pollution from vehicles. (facilitiesnet.com)
  • First, we present a systematic and thorough analysis of thermal transport in interlayer-bonded twisted bilayer graphene (IB-TBG). (umass.edu)
  • We find that the introduction of interlayer C-C bonds in these bilayer structures causes an abrupt drop in the in-plane thermal conductivity of pristine, non-interlayer-bonded bilayer graphene, while further increase in the interlayer C-C bond density (2D diamond fraction) leads to a monotonic increase in the in-plane thermal conductivity of the resulting superstructures approaching the high in-plane thermal conductivity of 2D diamond (diamane). (umass.edu)
  • Secondly, we report results on the mechanical and structural response to shear deformation of nanodiamond superstructures in interlayer-bonded twisted bilayer graphene (IB-TBG) and interlayer-bonded graphene bilayers with randomly distributed individual interlayer C-C bonds (RD-IBGs). (umass.edu)
  • Our findings show that the mechanical properties of interlayer-bonded bilayer graphene sheets, including their ductility and the type of failure they undergo under shear deformation, can be systematically tailored by controlling interlayer bond density and distribution. (umass.edu)
  • Exfoliation of Graphite into Graphene in Aqueous Solutions of Inorganic Salts. (mpg.de)
  • Small quantities of ultrahigh-quality graphene have been isolated through an unwieldy and time-consuming process involving the mechanical exfoliation of highly oriented pyrolytic graphite. (emsdiasum.com)
  • The substrate-free gas-phase method is the first and only process that can synthesize ultrahigh-quality graphene in a single step, without the use of substrates or graphite [1]. (emsdiasum.com)
  • Controllable synthesis of defect-free graphene is crucial for applications since the properties of graphene are highly sensitive to any deviations from the crystalline lattice. (aip.org)
  • Substrate-Free Gas-Phase Synthesis of Graphene Sheets ", Nano Letters 8, 2012-2016 (2008). (emsdiasum.com)
  • We demonstrate a new synthesis route for the growth of organometallic sandwich molecular nanowires, taking the example of Eu-cyclooctatetraene (EuCot), a predicted ferromagnetic semiconductor. (researcher-app.com)
  • Graphene, with the unique combination of bonded carbon atom structures with its myriad and complex physical properties is balanced to have a big impact on the future of material sciences, electronics, and nanotechnology. (eurekaselect.com)
  • The Theoretical NanoElectronics group is closely connected to the Theoretical Nanotechnology group and part of the center for nanostructured graphene (CNG). (dtu.dk)
  • Molecular systems, mostly studied due to their biological relevance, recently started to show strong applicative potential in nanotechnology and biotechnology. (ftmc.lt)
  • article{2c9a3202-6162-40e3-848a-ab46661b72e6, abstract = {{A very rich Fe-C phase diagram makes the formation of graphene on iron surfaces a challenging task. (lu.se)
  • Mostafa, Afnan, "Thermal Conductivity and Mechanical Properties of Interlayer-Bonded Graphene Bilayers" (2023). (umass.edu)
  • Here we demonstrate that the growth of graphene on epitaxial iron films can be realized by chemical vapor deposition at relatively low temperatures, and that the formation of carbides can be avoided in excess of the carbon-containing precursors. (lu.se)
  • Carbon-carbon bonds are unusually strong, and a hexagonal array distributes stress evenly across its structure. (bbntimes.com)
  • The structure of graphene is a hexagonal lattice. (eurekaselect.com)
  • Currently, we study a new electron assisted growth technique and until now we studied stacked graphene (Gr) / hexagonal boron nitride (h-BN) heterostructures using a wide range of electron-based techniques (STM, LEED, ARPES, XPS, LEEM). (lu.se)
  • Together with its long-standing cooperation partner V. I. Korobov from the Bogoliubov Laboratory of Theoretical Physics at the Joint Institute for Nuclear Research in Dubna, Russia, Prof. Schiller's research team is dedicated to precisely one such molecule, namely the hydrogen molecular ion HD+. (scitechdaily.com)
  • Since optoelectronic properties of molecular solids also depend crucially on molecular packing motifs, it is not sufficient to only consider single-molecule properties, but also to gain precise knowledge of the crystalline phases to understand structure-property relationships. (uni-marburg.de)
  • Although graphene is the first truly two-dimensional crystalline material that has been discovered, over the years scientists have put considerable thought into how two-dimensional gases and solids should behave. (vanderbilt.edu)
  • Crystalline model systems provide microscopic insights into the nature of such states as they enable microscopic structure−property investigations. (uni-marburg.de)
  • While the use of molecular contact primer layers to control the energy level alignment is demonstrated in many concept studies, mainly using (single crystalline) model substrates, the processability of electrodes and their robustness must also be considered in real devices. (uni-marburg.de)
  • Low-intensity ultrasound is a non-destructive technique that provides information about physicochemical properties, such as composition, structure, physical state and flow rate. (magiran.com)
  • Unique molecular interactions between graphene derivatives and various small or macromolecules enable the fabrication of various functional hydrogels appropriate for different biomedical applications. (nature.com)
  • Complementary to such innate properties, structural modification through chemical functionalization or defect engineering can significantly enhance the properties and functionality of graphene and its derivatives. (umass.edu)
  • Our findings demonstrate that the in-plane thermal conductivity of IB-TBG 2D diamond superstructures and RD-IBGs can be precisely tuned by controlling interlayer C-C bond density with important implications for the thermal management applications of interlayer-bonded few-layer graphene derivatives. (umass.edu)
  • The CPMD method is one of the major methods for calculating ab-initio molecular dynamics (ab-inito MD or AIMD). (wikipedia.org)
  • The software is a parallelized plane wave / pseudopotential implementation of density functional theory, particularly designed for ab initio molecular dynamics. (wikipedia.org)
  • The interface between graphene and liquid Cu is studied using force field and ab initio molecular dynamics, revealing a complete or partial embedding of finite-sized flakes. (aip.org)
  • First, carbon nanotubes (CNT) and graphene (G) were used as reinforcement molecules in simulated and experimentally prepared PA6 matrices to improve the overall mechanical properties. (dtic.mil)
  • Understanding the electrical properties of graphene is important because, unlike the other materials used by the electronics industry, it remains stable and conductive down to the molecular scale. (vanderbilt.edu)
  • We also report the dependence of the mechanical properties, such as shear strength, crack initiation strain, toughness, and shear modulus, of these graphene bilayer sheets on their interlayer bond density and find that these properties differ significantly between IB-TBG nanodiamond superstructures and RD-IBG sheets. (umass.edu)
  • Furthermore, the sheets produced by these alternative methods exhibit defects, disorder, and oxygen functionalities that have a detrimental effect on the properties of graphene. (emsdiasum.com)
  • Read the latest research news on graphene, including special properties of the substance, potential uses as the 'new silicon' and more. (sciencedaily.com)
  • An international research team has now added another facet to its diverse properties with new experiments: Experts fired short terahertz pulses at micrometer-sized discs of graphene, which briefly turned these minuscule objects into surprisingly strong magnets. (sciencedaily.com)
  • Due to these attractive properties, graphene has gained much attention. (eurekaselect.com)
  • Here, we analyze and compare structural and optoelectronic properties of perfluorinated acenes ranging from perfluoronaphthalene (PFN) via perfluoroanthracene (PFA) and perfluorotetracene (PFT) to perfluoropentacene (PFP), while previous studies, due to the lack of availability of PFA and PFT, were limited to PFN and PFP, which exhibit rather different crystal structures. (uni-marburg.de)
  • The electronic properties such as band structure and density of states have been investigated using the generalized gradient approximation. (teen-hot.com)
  • On the other hand, applications require detailed understanding of molecular properties determining characteristics of molecular-based materials and, thus, stimulate scientific activity in this field. (ftmc.lt)
  • In addition, the molecular aggregates have multiple electronic excited states (excitonic states) that are responsible for the spectral properties and are involved in the photoinduced processes and reactions. (ftmc.lt)
  • The CPMD method is related to the more common Born-Oppenheimer molecular dynamics (BOMD) method in that the quantum mechanical effect of the electrons is included in the calculation of energy and forces for the classical motion of the nuclei. (wikipedia.org)
  • However, whereas BOMD treats the electronic structure problem within the time-independent Schrödinger equation, CPMD explicitly includes the electrons as active degrees of freedom, via (fictitious) dynamical variables. (wikipedia.org)
  • In a paper published last week in the journal Nature , he and his Columbia colleagues report that they have managed to clean up graphene enough so that it exhibits a bizarre electrical phenomenon called the fractional quantum Hall effect, where the electrons act together to create new particles with electrical charges that are a fraction that of individual electrons. (vanderbilt.edu)
  • The best way to understand this counterintuitive effect is to think of the electrons in graphene as a forming a (very thin) sea of charge. (vanderbilt.edu)
  • Other topics currently being studied by our PhD students include the quantum behaviour of electrons in graphene transistors and a look at possible candidates for dark matter. (concordia.ca)
  • Electrochemical methods can be used not only for the sensitive analysis of proteins but also for deeper research into their structure, transport functions (transfer of electrons and protons), and sensing their interactions with soft and solid surfaces. (bvsalud.org)
  • Notably, upon multilayer growth, a pronounced intercalation of silver into the molecular adlayer occurs, yielding thermally stabilized organometallic interphases extending over the entire adlayer. (uni-marburg.de)
  • Researchers were able to create a graphene-titania nanocomposite material that can be coated onto hard surfaces and passively breaks down air pollutants. (facilitiesnet.com)
  • The material possesses a highly ordered structure and is atomically thin, chemically inert, structurally stable, and electrically and thermally conductive. (emsdiasum.com)
  • Modern fabrication methods allow to make atomically thin nanomasks which prove to be sufficiently robust for experiments in molecular quantum optics (Image: Christian Knobloch). (nanowerk.com)
  • The team succeeded in fabricating stable and sufficiently large gratings even in atomically thin single layer graphene. (nanowerk.com)
  • Graphene hybrid materials? (nature.com)
  • The role of graphene materials in the final structure of hydrogels. (nature.com)
  • Raman spectra contain valuable information about the molecular structure of materials. (magiran.com)
  • It turns out that graphene quasiparticles, unlike those in other materials, obey the rules of quantum electrodynamics, the same relativistic equations that physicists use to describe the behavior of particles in black holes and high-energy particle accelerators. (vanderbilt.edu)
  • These findings contribute significantly to our understanding of these 2D graphene-based materials as mechanical metamaterials. (umass.edu)
  • Self-assembly is influenced by the nature of molecular coatings and thus more detailed characterization of these soft materials is needed. (emsdiasum.com)
  • Because graphene is so thin, it's possible to spray it onto or mix it with other materials to make it stronger. (bbntimes.com)
  • Mixing it with graphene would combine the best attributes of both materials. (bbntimes.com)
  • For one, they are flat, one-atom-thick two-dimensional (2D) materials similar to that of graphene. (sciencedaily.com)
  • The research in my group is working mainly on theory and computer simulation of electronics based on nano-structures such as molecular nano-junctions, nanowires, nanotubes, graphene and other two-dimensional materials. (dtu.dk)
  • Metal complexes and 2D materials like graphene were combined to produce structures that can function as sensors. (universiteitleiden.nl)
  • Using spin crossover materials, both in bulk single crystal form and in thin layer form, graphene-based electronic sensors were produced and characterized that can detect spin switches in the spin crossover materials. (universiteitleiden.nl)
  • These diverse materials may exhibit time-dependent structures under transient or out-of-equilibrium conditions resulting from for example self-assembly processes, phase transitions or in response to external fields, such as flow. (lu.se)
  • Influence of Curing Agents Molecular Structures on Interfacial Characteristics of Graphene/Epoxy Nanocomposites: A Molecular Dynamics Framework. (ebsco.com)
  • The remarkable characteristics of graphene occur because of the extended chain of π conjugation that results in high charge mobility, high conductivity & high Young's modulus value. (eurekaselect.com)
  • Amazing functional characteristics and reliability of molecular systems created by Nature suggest operational principles that might be adapted for various man-made devices. (ftmc.lt)
  • Scanning tunneling microscopy is a powerful tool for determining the electronic structure of surface adsorbates. (uni-koeln.de)
  • In situ scanning tunneling microscopy reveals not only their molecular structure but also a rich and intriguing growth morphology. (researcher-app.com)
  • Since 2010 we studied graphene (Gr) extensively mainly with high resolution X-ray photoelectron spectroscopy (HRXPS) and scanning tunneling microscopy (STM). (lu.se)
  • What they found was that the structure of graphene was a single layer of carbon arranged in an interlocking pattern. (bbntimes.com)
  • High-performance deformable photoswitches with p-doped graphene as the top window electrode. (mpg.de)
  • Nanoparticles coated with molecular layers have been shown to self-assemble into novel structures that could potentially be used in electronics, sensors, and photonics. (emsdiasum.com)
  • The results showed that the synthesized graphene can be used to directly observe nanoparticles functionalized with a diverse range of molecular coatings, such as proteins and DNA. (emsdiasum.com)
  • Their discovery of the carbon-based nanomaterial earned them the Nobel Prize in Physics and sparked a burning question among scientists - how is graphene so strong yet pliable? (bbntimes.com)
  • Tuning the Electronic Structure of Graphene by Molecular Dopants: Impact of the Substrate. (mpg.de)
  • We offer ultrahigh-quality graphene that is produced through the substrate-free gas-phase method [1]. (emsdiasum.com)
  • We employ simultaneous exposure of Cot molecules and Eu vapor in ultrahigh vacuum to an inert substrate, such as graphene. (researcher-app.com)
  • The graphene created by this technique possesses a highly ordered structure that is composed of 99% carbon by mass (1% hydrogen)[2]. (emsdiasum.com)
  • Join us for our one-hour-or-less webinars on a variety of molecular spectroscopy techniques and applications. (thermofisher.com)
  • Last year, however, the team led by Prof. Schiller developed a novel spectroscopy technique for investigating the rotation of molecular ions. (scitechdaily.com)
  • They demonstrated that this extended spectroscopy technique has a resolution capacity for the radiation wavelength for vibrational excitation that is 10,000 times higher than in previous techniques used for molecular ions. (scitechdaily.com)
  • Here, we combine low-temperature scanning tunneling imaging and spectroscopy with CO functionalized tips and algorithmic data analysis to investigate the electronic structure of the molecular cycloarene C108 (graphene nanoring) adsorbed on a Au(111) surface. (uni-koeln.de)
  • Studies of specific molecular compounds, nanostructures and heterogeneous media are carried out using modern approaches of electrochemistry, chromatography and spectroscopy together with theoretical modelling of the experimental observables. (ftmc.lt)
  • The observed topography of the graphene/Fe superstructure is well reproduced by density functional theory calculations, and found to result from a unique combination of the lattice mismatch and strong interfacial interaction, as probed by core-level photoemission and x-ray absorption spectroscopy. (lu.se)
  • We also find a similar trend in the in-plane thermal conductivity of interlayer-bonded graphene bilayers with randomly distributed individual interlayer C-C bonds (RD-IBGs) as a function of interlayer C-C bond density, but with the in-plane thermal conductivity of the IB-TBG 2D diamond superstructures consistently exceeding that of RD-IBGs at a given interlayer bond density. (umass.edu)
  • We analyze the simulation results employing effective medium and percolation theories and explain the predicted dependence of in-plane thermal conductivity on interlayer bond density on the basis of lattice distortions induced in the bilayer structures as a result of interlayer bonding. (umass.edu)
  • These triangular structures join up with one another to form flat sheets of hexagons. (forbes.com)
  • So they applied semiconductor lithography techniques to suspend ultraclean graphene sheets between microscopic posts above the surface of semiconductor chips. (vanderbilt.edu)
  • Graphene sheets are created through the delivery of liquid alcohol droplets directly into atmospheric-pressure microwave-generated plasmas. (emsdiasum.com)
  • Extensive characterization of the synthesized graphene has proven that the sheets are oxygen-free and exhibit a highly ordered structure [2]. (emsdiasum.com)
  • Phys.1996, 105, 2414-2423] was implemented in a fork of the GROMACS molecular dynamics program, uptake has been rather limited, presumably due to the poor scaling of that code with respect to the number of titratable sites. (jyu.fi)
  • Graphene is electrically and thermally conductive, and is the strongest material ever measured. (emsdiasum.com)
  • The Car-Parrinello method is a type of molecular dynamics, usually employing periodic boundary conditions, planewave basis sets, and density functional theory, proposed by Roberto Car and Michele Parrinello in 1985, who were subsequently awarded the Dirac Medal by ICTP in 2009. (wikipedia.org)
  • Comparing our experimental data with ab-initio density functional theory reveals a remarkably precise agreement of the molecular orbitals and enables us to disentangle close-lying molecular states only separated by 50 meV at an energy of 2 eV below the Fermi level. (uni-koeln.de)
  • We demonstrate the method on crystal structure identification in Lennard-Jones (four different phases), water (eight different phases), and mesophase (six different phases) systems. (osti.gov)
  • We demonstrate that CO functionalized tips enhance the visibility of molecular resonances, both in differential conductance spectra and in real-space topographic images. (uni-koeln.de)
  • Our cutting-edge research centres promote interdisciplinary collaborations in nano-, molecular and life sciences. (concordia.ca)
  • Magnetoresistance and Charge Transport in Graphene Governed by Nitrogen Dopants. (mpg.de)
  • A coalition of researchers have discovered that combining graphene with titanium dioxide can degrade 70 percent more nitrogen oxides out of the air versus titanium dioxide on its own. (facilitiesnet.com)
  • Transparent Conductive Electrodes from Graphene/PEDOT:PSS Hybrid Inks for Ultrathin Organic Photodetectors. (mpg.de)
  • First, its molecular structure is so resistant to defects that researchers have had to hand-make them to study what effects they have. (vanderbilt.edu)
  • Now, researchers have developed design guidelines that enable radio-frequency reflectometry to achieve high-speed electrical readouts of graphene nanodevices. (sciencedaily.com)
  • Before your facility can become a smog chomping champion, researchers say there will need to be a cheaper way to mass-produce graphene, as well as further research into how to make the coating last as long as possible in the real built environment. (facilitiesnet.com)
  • Graphene effectively lacks a third dimension, making it the thinnest two-dimensional material in the world. (bbntimes.com)
  • Kohn-Sham equations are often used to calculate the electronic structure, where electronic orbitals are expanded in a plane-wave basis set. (wikipedia.org)
  • As a result, when the current silicon technology reaches it's a fundamental miniaturization limit in coming years, graphene could very well take its place. (vanderbilt.edu)
  • There are no weak bonds in this structure, so it takes a lot more energy to break this material, giving rise to the high strength of diamond. (forbes.com)
  • Despite its strength, the atom-thin structure of graphene also makes the material incredibly flexible. (bbntimes.com)
  • For example, you can combine graphene and chopped-up rubber in a machine to create a flexible material with higher strength and temperature capabilities than rubber alone. (bbntimes.com)
  • Graphene, that is extremely thin carbon, is considered a true miracle material. (sciencedaily.com)
  • Graphene is often referred to as a wonder material for its advantageous qualities. (sciencedaily.com)
  • A grand challenge was to reduce the material thickness and thus the attractive interactions of these masks down to the ultimate limit while retaining a mechanically stable structure. (nanowerk.com)
  • Attention is also paid to the theoretical aspects of electron transport and the effect of an external electric field on the structure of selected proteins. (bvsalud.org)
  • Tuning the work function of GaN with organic molecular acceptors. (mpg.de)
  • Graphene flakes at the SiO2/organic-semiconductor interface for high-mobility field-effect transistors. (mpg.de)
  • The emerging field of organic electronics triggers the search for new molecular semiconductors and fluorophores. (uni-marburg.de)