693.932 PEOPLE
| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Cuniberti, Gianaurelio
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (456/456 displayed)
- 2025MORE-Q, a dataset for molecular olfactorial receptor engineering by quantum mechanics
- 2025Mapping the Extended Ground State Reactivity Landscape of a Photoswitchable Molecule at a Single Molecular Level
- 2024Evolution of point defects in pulsed-laser-melted Ge<sub>1-x </sub>Sn <sub>x</sub> probed by positron annihilation lifetime spectroscopycitations
- 2024Enantiospecificity in NMR enabled by chirality-induced spin selectivitycitations
- 2024Tuning the Planarity of an Aromatic Thianthrene-Based Molecule on Au(111)citations
- 2024UNRAVELING THE IMPACT OF NITROGEN DOPED GRAPHENE ON THE SENSING OF VOLATILE ORGANIC COMPOUNDS: A DFT STUDYcitations
- 2024Computational Design of the Electronic Response for Volatile Organic Compounds Interacting with Doped Graphene Substrates
- 2024Human perception of Parkinson's disease body odor in comparison to the volatile organic compounds of Parkinson's diseasecitations
- 2024Chiral spin selectivity and chiroptical activity in helical moleculescitations
- 2024Degradation Behavior of Coated Metallic Stents: Influence of In Vitro Fluid-Dynamic Biostability Testing Conditions
- 2024Mimicking on-water surface synthesis through micellar interfacescitations
- 2024Chiral-Induced Spin Selectivity Modulated Time-Correlated Single-Photon Counting for DNA Hybridization Detectioncitations
- 2024Multifunctional polymer-based nanocomposites for synergistic adsorption and photocatalytic degradation of mixed pollutants in watercitations
- 2023Hierarchies of Hofstadter butterflies in 2D covalent organic frameworkscitations
- 2023Spin-phonon coupling in a double-stranded model of DNAcitations
- 2023Surface-Functionalized Multichannel Nanosensors and Machine Learning Analysis for Improved Sensitivity and Selectivity in Gas Sensing Applicationscitations
- 2023Monitoring Toxic Gases Using Nanotechnology and Wireless Sensor Networkscitations
- 2023Mineral-impregnated carbon-fiber based reinforcing grids as thermal energy harvesters: A proof-of-concept study towards multifunctional building materialscitations
- 2023Carbon nanotube neurotransistors with ambipolar memory and learning functionscitations
- 2023Machine learning-enabled graphene-based electronic olfaction sensors and their olfactory performance assessmentcitations
- 2023Photocatalytic degradation of methylene blue at nanostructured ZnO thin filmscitations
- 2023Workflow for computational characterization of PDMS cross-linked systems
- 2023Portable microfluidic impedance biosensor for SARS-CoV-2 detectioncitations
- 2023Hydrogel-Coated Nanonet-Based Field-Effect Transistors for SARS-CoV-2 Spike Protein Detection in High Ionic Strength Samples
- 2023Solar-driven photodegradation of ciprofloxacin and E. coli growth inhibition using a Tm3+ upconverting nanoparticle-based polymer compositecitations
- 2023Functionalization-Induced Local Magnetization in Black Phosphorene
- 2023Multifunctional polymer-based nanocomposites for synergistic adsorption and photocatalytic degradation of mixed pollutants in watercitations
- 2022Electrokinetic Janus micromotors moving on topographically flat chemical patternscitations
- 2022Tailoring surface properties, biocompatibility and corrosion behavior of stainless steel by laser induced periodic surface treatment towards developing biomimetic stentscitations
- 2022The contribution of intermolecular spin interactions to the London dispersion forces between chiral moleculescitations
- 2022Toward Coarse-Grained Elasticity of Single-Layer Covalent Organic Frameworkscitations
- 2022Reusable and Antibacterial Polymer‐Based Nanocomposites for the Adsorption of Dyes and the Visible‐Light‐Driven Photocatalytic Degradation of Antibioticscitations
- 2022Real-Time Monitoring of Blood Parameters in the Intensive Care Unit: State-of-the-Art and Perspectivescitations
- 2022Electronic and thermal signatures of phosphorene grain boundaries under uniaxial straincitations
- 2022Combination of Knoevenagel Polycondensation and Water-Assisted Dynamic Michael-Addition-Elimination for the Synthesis of Vinylene-Linked 2D Covalent Organic Frameworkscitations
- 2022Combination of Knoevenagel Polycondensation and Water-Assisted Dynamic Michael-Addition-Elimination for the Synthesis of Vinylene-Linked 2D Covalent Organic Frameworkscitations
- 2021Supramolecular Functionalized Pristine Graphene Utilizing a Bio-Compatible Stabilizer towards Ultra-Sensitive Ammonia Detection
- 2021CuO-Doped Alginate for Simple Electrochemical Vitamin C Sensing in Sweatcitations
- 2021One-way rotation of a chemically anchored single molecule-rotorcitations
- 2021Olfactory Perception in Relation to the Physicochemical Odor Spacecitations
- 2021Investigating a Combined Stochastic Nucleation and Molecular Dynamics-Based Equilibration Approach for Constructing Large-Scale Polycrystalline Films
- 2021ZnO Low-Dimensional Thin Films Used as a Potential Material for Water Treatment
- 2021Enhanced visible-light photodegradation of fluoroquinolone-based antibiotics and E. coli growth inhibition using Ag–TiO2 nanoparticlescitations
- 2021Nanoscale Phononic Analog of the Ranque-Hilsch Vortex Tubecitations
- 2021Multicolor Patterning of 2D Semiconductor Nanoplateletscitations
- 2021Evaluation of in vitro corrosion behavior of titanium oxynitride coated stainless steel stentscitations
- 2021Coexistence of fluorescent Escherichia coli strains in millifluidic droplet reactorscitations
- 2021Hemocompatible Electrochemical Sensors for Continuous Monitoring of Blood Parameterscitations
- 2021Predicting the bulk modulus of single-layer covalent organic frameworks with square-lattice topology from molecular building-block propertiescitations
- 2021Multiscale Modeling Strategy of 2D Covalent Organic Frameworks Confined at an Air–Water Interfacecitations
- 2021Thermoelectric energy harvesting from single-walled carbon nanotube alkali-activated nanocomposites produced from industrial waste materialscitations
- 2021Detection of C-Reactive Protein by Liquid-Gated Carbon Nanotube Field Effect Transistors (LG-CNTFET): A Promising Tool against Antibiotic Resistance
- 2021An Atomistic Study of the Thermoelectric Signatures of CNT Peapodscitations
- 2021Highly Sensitive Silicon Nanowire Biosensor Devices for the Investigation of UniCAR Platform in Immunotherapy
- 2020Effective Hamiltonian model for helically constrained quantum systems within adiabatic perturbation theory: Application to the chirality-induced spin selectivity (CISS) effectcitations
- 2020Anisotropic Exclusion Effect between Photocatalytic Ag/AgCl Janus Particles and Passive Beads in a Dense Colloidal Matrixcitations
- 2020Mechanical Transmission of Rotational Motion between Molecular-Scale Gearscitations
- 2020Nanosensor-Based Real-Time Monitoring of Stress Biomarkers in Human Saliva Using a Portable Measurement Systemcitations
- 2020Boron doping of SWCNTs as a way to enhance the thermoelectric properties of melt‐mixed polypropylene/SWCNT compositescitations
- 2020Role of Exchange Interactions in the Magnetic Response and Intermolecular Recognition of Chiral Moleculescitations
- 2020STM induced manipulation of azulene-based molecules and nanostructures: the role of the dipole momentcitations
- 2020Design and Performance of Novel Self-Cleaning g-C3N4/PMMA/PUR Membranescitations
- 2020Two-Dimensional Boronate Ester Covalent Organic Framework Thin Films with Large Single Crystalline Domains for a Neuromorphic Memory Devicecitations
- 2020Continuum modelling of structure formation of biosilica patterns in diatomscitations
- 2020Transmitting Stepwise Rotation among Three Molecule-Gear on the Au(111) Surfacecitations
- 2020A zinc selective oxytocin based biosensorcitations
- 2020Interactions of Long-Chain Polyamines with Silica Studied by Molecular Dynamics Simulations and Solid-State NMR Spectroscopycitations
- 2020Dodecacene Generated on Surface: Reopening of the Energy Gapcitations
- 2020Determination of the entire stent surface area by a new analytical methodcitations
- 2020Boron-doped single-walled carbon nanotubes with enhanced thermoelectric power factor for flexible thermoelectric devicescitations
- 2020Surface Modification of Silicon Nanowire Based Field Effect Transistors with Stimuli Responsive Polymer Brushes for Biosensing Applicationscitations
- 2020Towards synthetic neural networkscitations
- 2020Enhanced Photocatalytic Activity of Au/TiO2 Nanoparticles against Ciprofloxacincitations
- 2020Modification of titanium implants using biofunctional nanodiamonds for enhanced antimicrobial propertiescitations
- 2020Nanosensors-Assisted Quantitative Analysis of Biochemical Processes in Dropletscitations
- 2020Enhanced photocatalytic activity of Au/TiO2 nanoparticles against ciprofloxacincitations
- 2020In vitro characterization of osteoblast cells on polyelectrolyte multilayers containing detonation nanodiamondscitations
- 2019Impact of molecular quadrupole moments on the energy levels at organic heterojunctionscitations
- 2019Engineering crystalline quasi-two-dimensional polyaniline thin film with enhanced electrical and chemiresistive sensing performancescitations
- 2019On-surface synthesis of nitrogen-doped nanographenes with 5–7 membered ringscitations
- 2019Hybrid Silicon Nanowire Devices and Their Functional Diversitycitations
- 2019Selective Transmission of Phonons in Molecular Junctions with Nanoscopic Thermal Bathscitations
- 2019Electron Transport through Self-Assembled Monolayers of Tripeptidescitations
- 2019Electrochemically Exfoliated High-Quality 2H-MoS<sub>2</sub> for Multiflake Thin Film Flexible Biosensorscitations
- 2019Combined molecular dynamics and phase-field modelling of crack propagation in defective graphenecitations
- 2019Recapitulating bone development events in a customised bioreactor through interplay of oxygen tension, medium pH, and systematic differentiation approachescitations
- 2019Quantum Phonon Transport in Nanomaterials: Combining Atomistic with Non-Equilibrium Green’s Function Techniquescitations
- 2019Spin-Polarized Electron Transmission in DNA-Like Systemscitations
- 2019Photocatalytic microporous membrane against the increasing problem of water emerging pollutantscitations
- 2019Ammonia Plasma-Induced n-Type Doping of Semiconducting Carbon Nanotube Films: Thermoelectric Properties and Ambient Effectscitations
- 2019Direct Assembly and Metal-Ion Binding Properties of Oxytocin Monolayer on Gold Surfacescitations
- 2019ITO Work Function Tunability by Polarizable Chromophore Monolayerscitations
- 2019Two-Dimensional SiP, SiAs, GeP and GeAs as Promising Candidates for Photocatalytic Applicationscitations
- 2019Doping engineering of thermoelectric transport in BNC heteronanotubescitations
- 2019Thermal bridging of graphene nanosheets via covalent molecular junctionscitations
- 2019Green function, quasi-classical Langevin and Kubo–Greenwood methods in quantum thermal transportcitations
- 2019Impact of device geometry on electron and phonon transport in graphene nanoringscitations
- 2019Stimulation of bone formation by monocyte-activator functionalized graphene oxide in vivocitations
- 2019Mapping Conformational Changes in a Self-Assembled Two-Dimensional Molecular Network by Statistical Analysis of Conductance Imagescitations
- 2019Straintronics in graphene: Extra large electronic band gap induced by tensile and shear strainscitations
- 2019Fully sp2‐Carbon‐Linked Crystalline Two‐Dimensional Conjugated Polymers: Insight into 2D Poly(phenylenecyanovinylene) Formation and its Optoelectronic Propertiescitations
- 2019Stabilization of aqueous graphene dispersions utilizing a biocompatible dispersant: a molecular dynamics studycitations
- 2019Current-induced rotations of molecular gearscitations
- 2019Quantitative analysis of BMP-2 derived peptide covalently grafted onto oxidized detonation nanodiamondscitations
- 2019Room temperature single-step synthesis of metal decorated boron-rich nanowires via laser ablationcitations
- 2019Single-Step Modified Electrodes for Vitamin C Monitoring in Sweatcitations
- 2019S-layer protein-AuNP systems for the colorimetric detection of metal and metalloid ions in watercitations
- 2019Exploring the write-in process in molecular quantum cellular automata: a combined modelingand first-principle approachcitations
- 2019Chirality-Induced Spin Selectivity in a Coarse-Grained Tight-Binding Model for Helicenecitations
- 2019Immobilization of Detonation Nanodiamonds on Macroscopic Surfacescitations
- 2018Time-dependent framework for energy and charge currents in nanoscale systemscitations
- 2018Chirality-dependent electron spin filtering by molecular monolayers of helicenescitations
- 2018Effect of Magnetic Zigzag Edges in Graphene-like Nanoribbons on the Thermoelectric Power Factor
- 2018Modeling of the Coadsorption of Chloride and Hydrogen Ions on Copper Electrode Surfacecitations
- 2018Density Functional Tight Binding for Quantum Plasmonicscitations
- 2018Toward Highly Sensitive and Energy Efficient Ammonia Gas Detection with Modified Single-Walled Carbon Nanotubes at Room Temperaturecitations
- 2018Atomistic Framework for Time-Dependent Thermal Transportcitations
- 2018Visible Light Actuated Efficient Exclusion Between Plasmonic Ag/AgCl Micromotors and Passive Beadscitations
- 2018Hexacene generated on passivated siliconcitations
- 2018First-principles investigation of Ag-, Co-, Cr-, Cu-, Fe-, Mn-, Ni-, Pd- and Rh-hexaaminobenzene 2D metal-organic frameworkscitations
- 2018Copper Electroplating with Polyethylene Glycol: Part II. Experimental Analysis and Determination of Model Parameterscitations
- 2018First-Principle-Based Phonon Transport Properties of Nanoscale Graphene Grain Boundariescitations
- 2018Electronic Resonances and Gap Stabilization of Higher Acenes on a Gold Surfacecitations
- 2018Unimolecular Logic Gate with Classical Input by Single Gold Atomscitations
- 2018High-Motility Visible Light-Driven Ag/AgCl Janus Micromotorscitations
- 2018Ultrasensitive detection of Ebola matrix protein in a memristor modecitations
- 2018Diversification of Device Platforms by Molecular Layers: Hybrid Sensing Platforms, Monolayer Doping, and Modelingcitations
- 2018Gating Hysteresis as an Indicator for Silicon Nanowire FET Biosensorscitations
- 2018DFT study of interaction of additives with Cu(111) surface relevant to Cu electrodepositioncitations
- 2018Thermal Decoherence and Disorder Effects on Chiral-Induced Spin Selectivitycitations
- 2018Spin Dependent Conductance of a Quantum Dot Side attached to Topological Superconductors as a Probe of Majorana Fermion Statescitations
- 2018Inducing the controlled rotation of single o-MeO-DMBI molecules anchored on Au(111)citations
- 2018Insight into doping efficiency of organic semiconductors from the analysis of the density of states in n-doped C60 and ZnPccitations
- 2018Tuning the conductance of a molecular wire by the interplay of donor and acceptor unitscitations
- 2018Polymerization driven monomer passage through monolayer chemical vapour deposition graphenecitations
- 2018Immune Profiling of Polysaccharide Submicron Vesiclescitations
- 2018Plasmonic Biosensor Based on Vertical Arrays of Gold Nanoantennascitations
- 2018Self-Assembled Two-Dimensional Supramolecular Networks Characterized by Scanning Tunneling Microscopy and Spectroscopy in Air and under Vacuumcitations
- 2018Metal ion binding and tolerance of bacteria cells in view of sensor applicationscitations
- 2018Reusable Photocatalytic Optical Fibers for Underground, Deep-Sea, and Turbid Water Remediationcitations
- 2018Copper electroplating with polyethylene Glycol. Pt.II. Experimental analysis and determination of model parameterscitations
- 2018Enhanced Magnetoresistance in Chiral Molecular Junctionscitations
- 2017Metamorphosis in carbon network: From penta-graphene to biphenylene under uniaxial tensioncitations
- 2017Negative Photoconductance in Heavily Doped Si Nanowire Field-Effect Transistorscitations
- 2017Persulfurated Coronene: A New Generation of "Sulflower"citations
- 2017Few-Layer Graphene Kills Selectively Tumor Cells from Myelomonocytic Leukemia Patientscitations
- 2017In Situ Electron Driven Carbon Nanopillar-Fullerene Transformation through Cr Atom Mediationcitations
- 2017Molecular Self-Assembly Driven by On-Surface Reduction: Anthracene and Tetracene on Au(111)citations
- 2017Competence-Based, Research-Related Lab Courses for Materials Modeling: The Case of Organic Photovoltaicscitations
- 2017Absorption Tails of Donor:C-60 Blends Provide Insight into Thermally Activated Charge-Transfer Processes and Polaron Relaxationcitations
- 2017A Stable Saddle-Shaped Polycyclic Hydrocarbon with an Open-Shell Singlet Ground Statecitations
- 2017Coherent spin dynamics in a helical arrangement of molecular dipolescitations
- 2017Graphene or h-BN paraffin composite structures for the thermal management of Li-ion batteries: A multiscale investigationcitations
- 2017Coordination Polymer Framework Based On-Chip Micro-Supercapacitors with AC Line-Filtering Performancecitations
- 2017Copper Induced Conformational Changes of Tripeptide Monolayer Based Impedimetric Biosensorcitations
- 2017Gap engineering for improved control of memristor nanosensorscitations
- 2017Chemiresistive biosensors based on carbon nanotubes for label-free detection of DNA sequences derived from avian influenza virus H5N1citations
- 2017Human alpha-thrombin detection platform using aptamers on a silicon nanowire field-effect transistor
- 2017FEW-LAYER GRAPHENE SELECTIVELY KILLS MONOCYTIC NEOPLASTIC CELLS FROM PATIENTS WITH AML AND CMML
- 2017Tuning quantum electron and phonon transport in two-dimensional materials by strain engineering: a Green's function based studycitations
- 2017First-principles investigation of mechanical properties of silicene, germanene and stanenecitations
- 2017Nanowire sensors monitor bacterial growth kinetics and response to antibioticscitations
- 2017Edge magnetism impact on electrical conductance and thermoelectric properties of graphenelike nanoribbonscitations
- 2017Light-Induced Contraction/Expansion of 1D Photoswitchable Metallopolymer Monitored at the Solid-Liquid Interfacecitations
- 2017In-Situ Stretching Patterned Graphene Nanoribbons in the Transmission Electron Microscopecitations
- 2017Exciton Binding Energy in Molecular Triadscitations
- 2017A structural insight into mechanical strength of graphene-like carbon and carbon nitride networkscitations
- 2017Tuning Near-Infrared Absorbing Donor Materials: A Study of Electronic, Optical, and Charge-Transport Properties of aza-BODIPYscitations
- 2017Copper Electroplating with Polyethylene Glycol I. An Alternative Hysteresis Model without Additive Consumptioncitations
- 2017Imaging the electronic structure of on-surface generated hexacenecitations
- 2017Polycyclic heteroaromatic hydrocarbons containing a benzoisoindole corecitations
- 2017Multimetallic Hierarchical Aerogels: Shape Engineering of the Building Blocks for Efficient Electrocatalysiscitations
- 2017Enhancement of thermal transport properties of asymmetric Graphene/hBN nanoribbon heterojunctions by substrate engineeringcitations
- 2017Developing a Customized Perfusion Bioreactor Prototype with Controlled Positional Variability in Oxygen Partial Pressure for Bone and Cartilage Tissue Engineeringcitations
- 2017In-depth electrical characterization of carrier transport in ambipolar Si-NW Schottky-barrier FETscitations
- 2017Photocatalytic degradation of recalcitrant micropollutants by reusable Fe<inf>3</inf>O<inf>4</inf>/SiO<inf>2</inf>/TiO<inf>2</inf> particlescitations
- 2017On-Surface Annulation Reaction Cascade for the Selective Synthesis of Diindenopyrenecitations
- 2017Decacene: On-Surface Generationcitations
- 2017Doping of graphene induced by boron/silicon substratecitations
- 2017In-Plane Edge Magnetism in Graphene-Like Nanoribbonscitations
- 2017Spin-orbit coupling in nearly metallic chiral carbon nanotubes: a density-functional based studycitations
- 2017Molecular and Ionic Dipole Effects on the Electronic Properties of Si-/SiO2-Grafted Alkylamine Monolayerscitations
- 2016Integration of Carbon Nanotubes in Silicon Strip and Slot Waveguide Micro-Ring Resonatorscitations
- 2016Reusability of photocatalytic TiO2 and ZnO nanoparticles immobilized in poly(vinylidene difluoride)-co-trifluoroethylenecitations
- 2016The modular approach enables a fully ab initio simulation of the contacts between 3D and 2D materialscitations
- 2016Contact-dependent mechanical properties of graphene nanoribbons: an ab initio studycitations
- 2016Confined Catalytic Janus Swimmers in a Crowded Channel: Geometry-Driven Rectification Transients and Directional Lockingcitations
- 2016TiO<inf>2</inf>/graphene oxide immobilized in P(VDF-TrFE) electrospun membranes with enhanced visible-light-induced photocatalytic performancecitations
- 2016Electrical characterization of two-dimensional materials and their heterostructurescitations
- 2016Coupling of semiconductor carbon nanotubes emission with silicon photonic microring resonators
- 2016Tetracene Formation by On-Surface Reductioncitations
- 2016Carbon Nanotubes Integration on Silicon
- 2016Impact of incomplete metal coverage on the electrical properties of metal-CNT contacts: A large-scale <i>ab initio</i> studycitations
- 2016Borophene as an anode material for Ca, Mg, Na or Li ion storage: A first-principle studycitations
- 2016Towards an optimal contact metal for CNTFETscitations
- 2016Printable Parallel Arrays of Si Nanowire Schottky-Barrier-FETs With Tunable Polarity for Complementary Logiccitations
- 2016Influence of organic ligands on the line shape of the Kondo resonancecitations
- 2016In-situ Quasi-Instantaneous e-beam Driven Catalyst-Free Formation Of Crystalline Aluminum Borate Nanowirescitations
- 2016Non-covalent modified multi-walled carbon nanotubes: dispersion capabilities and interactions with bacteriacitations
- 2016Orthogonal experimental design of titanium dioxide-Poly(methyl methacrylate) electrospun nanocomposite membranes for photocatalytic applicationscitations
- 2016ПРОБЛЕМЫ ПРИЗНАНИЯ ИНОСТРАННЫХ СУДЕБНЫХ РЕШЕНИЙ, НЕ ИМЕЮЩИХ МОТИВИРОВАННОГО ОБОСНОВАНИЯ: ДОСТУП К ПРАВОСУДИЮ, УКЛОНЕНИЕ ОТ СУДЕБНОГО РАЗБИРАТЕЛЬСТВА И ВОПРОСЫ ЭФФЕКТИВНОСТИ
- 2016Photocatalytic degradation of pharmaceuticals present in conventional treated wastewater by nanoparticle suspensionscitations
- 2016Electron-beam induced synthesis of nanostructures: a reviewcitations
- 2016Atomically Precise Prediction of 2D Self-Assembly of Weakly Bonded Nanostructures: STM Insight into Concentration-Dependent Architecturescitations
- 2016Compact Nanowire Sensors Probe Microdropletscitations
- 2016High-Performance Three-Dimensional Tubular Nanomembrane Sensor for DNA Detectioncitations
- 2016Probing Silica-Biomolecule Interactions by Solid-State NMR and Molecular Dynamics Simulationscitations
- 2016Molecular design driving tetraporphyrin self-assembly on graphite: a joint STM, electrochemical and computational studycitations
- 2016Hybrid integration of Carbon nanotubes into silicon slot photonic structurescitations
- 2016An efficient coarse-grained approach for the electron transport through large molecular systems under dephasing environmentcitations
- 2016Ecotoxicity assessment using ciliate cells in millifluidic dropletscitations
- 2016Reusability of photocatalytic TiO <inf>2</inf> and ZnO nanoparticles immobilized in poly(vinylidene difluoride)-co-trifluoroethylenecitations
- 2016Integration of carbon nanotubes in slot waveguides (Conference Presentation)
- 2016Discrete polygonal supramolecular architectures of isocytosine-based Pt(II) complexes at the solution/graphite interfacecitations
- 2016Synthesis of NBN-Type Zigzag-Edged Polycyclic Aromatic Hydrocarbons: 1,9-Diaza-9a-boraphenalene as a Structural Motifcitations
- 2016Application of silicene, germanene and stanene for Na or Li ion storage: A theoretical investigationcitations
- 2016Ciprofloxacin wastewater treated by UVA photocatalysis: Contribution of irradiated TiO<inf>2</inf> and ZnO nanoparticles on the final toxicity as assessed by Vibrio fischericitations
- 2016Anisotropic Thermoelectric Response in Two-Dimensional Puckered Structurescitations
- 2016Electronically Driven Single-Molecule Switch on Silicon Dangling Bondscitations
- 2016Thermoelectric properties of nanocarbons: Atomistic modelingcitations
- 2016From Fluorine to FluoreneA Route to Thermally Stable aza-BODIPYs for Organic Solar Cell Applicationcitations
- 2015Flexible Electronics: Light Weight and Flexible High-Performance Diagnostic Platform (Adv. Healthcare Mater. 10/2015)citations
- 2015Switchable Negative Differential Resistance Induced by Quantum Interference Effects in Porphyrin-based Molecular Junctionscitations
- 2015Scaling and Graphical Transport-Map Analysis of Ambipolar Schottky-Barrier Thin-Film Transistors Based on a Parallel Array of Si Nanowirescitations
- 2015Enhanced thermoelectric figure of merit in polycrystalline carbon nanostructurescitations
- 2015A simple two-step silane-based (bio-) receptor molecule immobilization without additional binding site passivationcitations
- 2015Mechanical properties and thermal conductivity of graphitic carbon nitride: A molecular dynamics studycitations
- 2015Contact effects and quantum interference in engineered dangling bond loops on silicon surfacescitations
- 2015Spin-Dependent Effects in Helical Molecular Systems with Rashba-Like Spin-Orbit Interactioncitations
- 2015Interplay between Mechanical and Electronic Degrees of Freedom in pi-Stacked Molecular Junctions: From Single Molecules to Mesoscopic Nanoparticle Networkscitations
- 2015pH measurements of FET-based (bio)chemical sensors using portable measurement systemcitations
- 2015Lateral damage in graphene carved by high energy focused gallium ion beamscitations
- 2015Optoelectronic switching of nanowire-based hybrid organic/oxide/semiconductor field-effect transistorscitations
- 2015Influence of surface charge on the transport characteristics of nanowire-field effect transistors in liquid environmentscitations
- 2015Modeling of Solvent Effects in the Electrical Response of π-Stacked Molecular Junctionscitations
- 2015Photoassisted transport in silicon dangling bond wirescitations
- 2015Modeling of photocatalytic degradation of organic components in water by nanoparticle suspensioncitations
- 2015Diameter-Selective Dispersion of Carbon Nanotubes via Polymers: A Competition between Adsorption and Bundlingcitations
- 2015Electron transport in extended carbon-nanotube/metal contacts: Ab initio based Green function methodcitations
- 2015Diameter-Selective Dispersion of Carbon Nanotubes <i>via</i> Polymers: A Competition between Adsorption and Bundlingcitations
- 2015Imperceptible Sensorics for medical monitoring A stretchable and flexible platform for epidermal electronics
- 2015Impact of ultrasonic dispersion on the photocatalytic activity of titania aggregatescitations
- 2015Integration of carbon nanotubes in silicon resonators
- 2015Monitoring microbial metabolites using an inductively coupled resonance circuitcitations
- 2015Magnetofluidic platform for multidimensional magnetic and optical barcoding of dropletscitations
- 2015Influence of side groups on the performance of infrared absorbing aza-BODIPY organic solar cellscitations
- 2015Quantum interference based Boolean gates in dangling bond loops on Si(100):H surfacescitations
- 2015Concepts and Modeling for Charge Transport in Organic Electronic Materials
- 2015Determination of state of charge-dependent asymmetric Butler-Volmer kinetics for LixCoO2 electrode using GITT measurementscitations
- 2015Supramolecular Rotor and Translator at Work: On-Surface Movement of Single Atomscitations
- 2015Light-field-characterization in a continuous hydrogen-producing photobioreactor by optical simulation and computational fluid dynamicscitations
- 2015Multi-scale modeling of metal-CNT interfacescitations
- 2015Microfluidic alignment and trapping of 1D nanostructures - a simple fabrication route for single-nanowire field effect transistorscitations
- 2015Guanosine-based hydrogen-bonded 2D scaffolds: metal-free formation of G-quartet and G-ribbon architectures at the solid/liquid interfacecitations
- 2015Materials Meets Concepts in Molecule-Based Electronicscitations
- 2015Multifunctional reversibly sealable microfluidic devices for patterned material deposition approachescitations
- 2015Electrical Characteristics of the Carbon Nanotube Field-Effect Transistors With Extended Contacts Obtained Within ab-initio Based Model
- 2014Selective laser treatment and laser patterning of metallic and semiconducting nanotubes in single walled carbon nanotube filmscitations
- 2014Structural distortions in molecular-based quantum cellular automata: a minimal model based studycitations
- 2014Mechanical properties of polycrystalline boron-nitride nanosheetscitations
- 2014Towards a multiscale modeling framework for metal-CNT interfacescitations
- 2014In Situ Observation of Melting Behavior of ZnTe Nanowirescitations
- 2014DFT study of reaction processes of methane combustion on PdO(1 0 0)citations
- 2014Quantum interference in thermoelectric molecular junctions: A toy model perspectivecitations
- 2014Biotechnological hydrogen production by photosynthesiscitations
- 2014Annealing effect on the thermal conductivity of thermoelectric ZnTe nanowirescitations
- 2014Copper nanowire synthesis by directed electrochemical nanowire assemblycitations
- 2014Effect of Waveform of ac Voltage on the Morphology and Crystallinity of Electrochemically Assembled Platinum Nanowirescitations
- 2014Graphene coatings for the mitigation of electron stimulated desorption and fullerene cap formationcitations
- 2014Ionic effects on the transport characteristics of nanowire-based FETs in a liquid environmentcitations
- 2014Determination of the Young's modulus of porous beta-type Ti-40Nb by finite element analysiscitations
- 2014Package Characterization of FET-based Biochemical Sensorscitations
- 2014The International Market for Contracts: The Most Attractive Contract Laws
- 2014Contact Properties of Ultrasmall Carbon Nanotube Transistors from Ab-initio
- 2014Detonation nanodiamonds biofunctionalization and immobilization to titanium alloy surfaces as first steps towards medical applicationcitations
- 2014Innovative Molecular Design for a Volume Oriented Component Diagnostic: Modified Magnetic Nanoparticles on High Performance Yarns for Smart Textilescitations
- 2014Unveiling the Atomic Structure of Single-Wall Boron Nanotubescitations
- 2014Multiscale modeling of thermal conductivity of polycrystalline graphene sheetscitations
- 2014Change of mechanical vertebrae properties due to progressive osteoporosis: combined biomechanical and finite-element analysis within a rat modelcitations
- 2014Schottky barrier-based silicon nanowire pH sensor with live sensitivity controlcitations
- 2014Quantum coherence of bulk electrons on metals revealed by scanning tunneling spectroscopycitations
- 2014Contact effects in spin transport along double-helical moleculescitations
- 2014Selection of a DNA aptamer against norovirus capsid protein VP1citations
- 2014Single-crystalline CdTe nanowire field effect transistors as nanowire-based photodetectorcitations
- 2014Synthesis and characterization of carbon nanowalls on different substrates by radio frequency plasma enhanced chemical vapor depositioncitations
- 2014Atomistic modeling of mechanical properties of polycrystalline graphenecitations
- 2014Dynamic Effects on the Charge Transport in an Organic Near-Infrared Absorber Materialcitations
- 2014Room Temperature in Situ Growth of B/BOx Nanowires and BOx Nanotubescitations
- 2013Magnetoresistive Emulsion Analyzercitations
- 2013Reverse breakdown behavior in organic pin-diodes comprising C60 and pentacene: Experiment and theorycitations
- 2013Control over Janus micromotors by the strength of a magnetic fieldcitations
- 2013Ion Fluxes and Electro-osmotic Fluid Flow in Electrolytes around a Metallic Nanowire Tip under Large Applied ac Voltagecitations
- 2013A bottom-up route to enhance thermoelectric figures of merit in graphene nanoribbonscitations
- 2013Dynamic and Electronic Transport Properties of DNA Translocation through Graphene Nanoporescitations
- 2013Combined effect of strain and defects on the conductance of graphene nanoribbonscitations
- 2013Spatial recognition of defects and tube type in carbon nanotube field effect transistors using electrostatic force microscopycitations
- 2013Effects of Al-doping on the properties of Li-Mn-Ni-O cathode materials for Li-ion batteries: an ab initio studycitations
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Quantum Phonon Transport in Nanomaterials: Combining Atomistic with Non-Equilibrium Green’s Function Techniques
Abstract
<p>A crucial goal for increasing thermal energy harvesting will be to progress towards atomistic design strategies for smart nanodevices and nanomaterials. This requires the combination of computationally efficient atomisticmethodologies with quantum transport based approaches. Here, we review our recent work on this problem, by presenting selected applications of the PHONON tool to the description of phonon transport in nanostructured materials. The PHONON tool is a module developed as part of the Density-Functional Tight-Binding (DFTB) software platform. We discuss the anisotropic phonon band structure of selected puckered two-dimensional materials, helical and horizontal doping effects in the phonon thermal conductivity of boron nitride-carbon heteronanotubes, phonon filtering in molecular junctions, and a novel computational methodology to investigate time-dependent phonon transport at the atomistic level. These examples illustrate the versatility of our implementation of phonon transport in combination with density functional-based methods to address specific nanoscale functionalities, thus potentially allowing for designing novel thermal devices.</p>