| Nome |
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Carbon Nanodots from an In Silico Perspective, file 0d5e4380-4f14-427c-86c0-a719c819522e
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911
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Deciphering Molecular Mechanisms of Interface Buildup and Stability in Porous Si/Eumelanin Hybrids, file e2f56ed6-b27c-3eaf-e053-3a05fe0a5d97
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695
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Thermal transport in nanocrystalline graphene investigated by approach-to-equilibrium molecular dynamics simulations, file e2f56ed4-26f6-3eaf-e053-3a05fe0a5d97
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481
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Thermal transport in porous Si nanowires from approach-to-equilibrium molecular dynamics calculations, file e2f56ed5-26ba-3eaf-e053-3a05fe0a5d97
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468
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Thermal rectification in silicon by a graded distribution of defects, file e2f56ed5-2a10-3eaf-e053-3a05fe0a5d97
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438
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Thermal boundary resistance in semiconductors by non-equilibrium thermodynamics, file e2f56ed5-eaed-3eaf-e053-3a05fe0a5d97
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254
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Model for thermal conductivity in nanoporous silicon from atomistic simulations, file e2f56ed7-a866-3eaf-e053-3a05fe0a5d97
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233
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Assessing the anomalous superdiffusive heat transport in a single one-dimensional PEDOT chain, file e2f56ed7-3820-3eaf-e053-3a05fe0a5d97
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187
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Insight into the Molecular Model in Carbon Dots through Experimental and Theoretical Analysis of Citrazinic Acid in Aqueous Solution, file e2f56eda-02b7-3eaf-e053-3a05fe0a5d97
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137
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Impact of synthetic conditions on the anisotropic thermal conductivity of poly(3,4-ethylenedioxythiophene) (PEDOT): A molecular dynamics investigation, file e2f56ed9-de0e-3eaf-e053-3a05fe0a5d97
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106
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Rapid In Situ Detection of THC and CBD in Cannabis sativa L. by 1064 nm Raman Spectroscopy, file b36d14d2-05e5-4fac-9d0f-d7377a0adcf9
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101
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Raman spectra and vibrational analysis of CsPbI3: a fast and reliable technique to identify lead halide perovskite polymorphs, file e2f56ed9-55e4-3eaf-e053-3a05fe0a5d97
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100
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Observation of second sound in a rapidly varying temperature field in Ge, file e2f56eda-32b8-3eaf-e053-3a05fe0a5d97
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40
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Roadmap on thermoelectricity, file 72f12a56-a950-4b99-b6ef-9b340b0e27f5
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35
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Thermal conduction and rectification phenomena in nanoporous silicon membranes, file a9b3cc9d-2259-475a-846b-ea0a79dd04ab
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35
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Transient absorption study on Red Vermilion darkening in presence of chlorine ions and after UV exposure, file d5904224-9779-4786-9373-faff35b4b3de
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34
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Roadmap on thermoelectricity, file b94e5420-fc57-48b9-894b-6e142cd07c1a
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20
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Room temperature second sound in cumulene, file e2f56eda-6165-3eaf-e053-3a05fe0a5d97
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19
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The interplay of chemical structure, physical properties, and structural design as a tool to modulate the properties of melanins within mesopores, file 368c5258-8420-4476-a2a2-a358906a4b1a
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18
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Engineering the Thermal Conductivity of Doped SiGe by Mass Variance: A First-Principles Proof of Concept, file e2f56eda-2ab4-3eaf-e053-3a05fe0a5d97
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17
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Stiffening of nanoporous gold: experiment, simulation and theory, file 60854cab-7785-424f-a5cf-511ff79bd552
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13
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Deciphering Molecular Mechanisms of Interface Buildup and Stability in Porous Si/Eumelanin Hybrids, file e2f56ed6-b903-3eaf-e053-3a05fe0a5d97
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12
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Intrinsic thermoelectric figure of merit of bulk compositional SiGe alloys: A first-principles study, file e2f56eda-36ab-3eaf-e053-3a05fe0a5d97
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11
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Strong Suppression of Thermal Conductivity in the Presence of Long Terminal Alkyl Chains in Low-Disorder Molecular Semiconductors, file e2f56eda-4ae9-3eaf-e053-3a05fe0a5d97
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11
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Driving the polymerization of PEDOT:PSS by means of a nanoporous template: Effects on the structure, file e2f56ed9-1b74-3eaf-e053-3a05fe0a5d97
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8
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Modeling charge transport in gold nanogranular films, file e2f56eda-2fb2-3eaf-e053-3a05fe0a5d97
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8
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SixGe1-x alloy as efficient phonon barrier in Ge/Si superlattices for thermoelectric applications, file e2f56ed4-98da-3eaf-e053-3a05fe0a5d97
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7
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Thermally Promoted Cation Exchange at the Solid State in the Transmission Electron Microscope: How It Actually Works, file f741e41b-0834-4412-857f-92c904041735
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7
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Strong Anharmonicity at the Origin of Anomalous Thermal Conductivity in Double Perovskite Cs2 NaYbCl6, file 0ba8cdbb-f5f9-4abb-b5d5-0164bc96f9cc
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5
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Introducing the concept of generalized thermal diffusivity to understand coupled heat–charge transport in ionic solutions, file 8aa3ba65-742c-4a4a-b926-4732ac723613
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5
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Predicting the thermal conductivity in a graphene nanoflake from its response to a thermal impulse, file e2f56ed6-82e9-3eaf-e053-3a05fe0a5d97
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5
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Thermal boundary resistance from transient nanocalorimetry: A multiscale modeling approach, file e2f56ed6-8a5f-3eaf-e053-3a05fe0a5d97
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5
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Strain engineering of ZnO thermal conductivity, file e2f56ed8-a2cb-3eaf-e053-3a05fe0a5d97
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5
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Thermal conductivity of benzothieno-benzothiophene derivatives at the nanoscale, file e2f56eda-6baa-3eaf-e053-3a05fe0a5d97
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5
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Thermally Promoted Cation Exchange at the Solid State in the Transmission Electron Microscope: How It Actually Works, file 9587964d-13d7-47f5-8566-fd815418cae5
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4
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Thermal transport in H-terminated ultrathin [110] Si nanowires: a first principles study, file a6adf7e8-831f-4055-a2a7-84ad7bdc945c
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4
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Calculating thermal conductivity in a transient conduction regime: theory and implementation, file e2f56ed3-a680-3eaf-e053-3a05fe0a5d97
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4
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Density functional theory calculations of the stress of oxidised (1 1 0) silicon surfaces, file e2f56ed5-eaea-3eaf-e053-3a05fe0a5d97
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4
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Simulating Energy Relaxation in Pump-Probe Vibrational Spectroscopy of Hydrogen-Bonded Liquids, file e2f56ed6-886d-3eaf-e053-3a05fe0a5d97
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4
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Optical and vibrational properties of CaZnOS: The role of intrinsic defects, file e2f56ed8-02e8-3eaf-e053-3a05fe0a5d97
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4
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Graphene quantum dots and carbon nanodots: modeling of zero-dimensional carbon nanomaterials, file 41ceea64-0e9b-4ce1-916e-8d3016f4fa78
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3
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Neutral-cluster implantation in polymers by computer experiments, file e2f56ed3-a515-3eaf-e053-3a05fe0a5d97
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3
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The effect of selective interactions at the interface of polymer-oxide hybrid solar cells, file e2f56ed4-cd94-3eaf-e053-3a05fe0a5d97
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3
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Structural, vibrational, and thermal properties of nanocrystalline graphene in atomistic simulations, file e2f56ed5-2d26-3eaf-e053-3a05fe0a5d97
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3
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A two thickness interferometer for lattice strain investigations, file e2f56ed5-f217-3eaf-e053-3a05fe0a5d97
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3
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Thermal transport in nanocrystalline graphene: the role of grain boundaries, file e2f56ed6-e022-3eaf-e053-3a05fe0a5d97
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3
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Surface elastic properties in silicon nanoparticles, file e2f56ed7-10f5-3eaf-e053-3a05fe0a5d97
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3
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Linking morphology to thermal conductivity in PEDOT: an atomistic investigation, file e2f56ed7-6ff8-3eaf-e053-3a05fe0a5d97
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3
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Assessing the Performance of Eumelanin/Si Interface for Photovoltaic Applications, file e2f56ed7-c34c-3eaf-e053-3a05fe0a5d97
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3
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Physical and chemical control of interface stability in porous si–eumelanin hybrids, file e2f56ed8-3a9b-3eaf-e053-3a05fe0a5d97
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3
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Emission mechanism in single and co-doped Tb:Eu:CaZnOS, file e2f56ed9-ecaa-3eaf-e053-3a05fe0a5d97
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3
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Molecular Dynamics Simulations of Thermal Transport in Solid State Systems, file 3beee5da-9cc2-4685-a5c6-50dcf39f7fba
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2
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Modeling the Coupled Mass‐Heat Transport in Lennard–Jones‐Like Binary Mixtures by Approach‐to‐Equilibrium Molecular Dynamics, file 96c91c7f-1636-4cc2-9a7e-d3f3a2dd1c9d
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2
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Computing the Lattice Thermal Conductivity of Small-Molecule Organic Semiconductors: A Systematic Comparison of Molecular Dynamics Based Methods, file defc2a78-64a6-4b06-b6be-a86123244452
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2
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Interplay Between Doping, Morphology, and Lattice Thermal Conductivity in PEDOT:PSS, file e03402c1-4e5f-461e-b7c9-8be807967f2f
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2
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SiGe nanocomposites: novel materials with very low lattice thermal conductivity for efficient thermoelectric conversion, file e2f56ed3-8a9a-3eaf-e053-3a05fe0a5d97
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2
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Patterning of gold–polydimethylsiloxane (Au–PDMS) nanocomposites by supersonic cluster beam implantation, file e2f56ed3-901a-3eaf-e053-3a05fe0a5d97
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2
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Atomistic Investigation of the Solid–Liquid Interface between the Crystalline Zinc Oxide Surface and the Liquid Tetrahydrofuran Solvent, file e2f56ed3-9b3b-3eaf-e053-3a05fe0a5d97
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2
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Self-assembling of poly3-hexylthiophene, file e2f56ed3-ab9c-3eaf-e053-3a05fe0a5d97
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2
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Lattice strain at c-Si surfaces: a density functional theory calculation, file e2f56ed3-fdbf-3eaf-e053-3a05fe0a5d97
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2
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Understanding the Helical Wrapping of Poly(3-hexylthiophene) on Carbon Nanotubes, file e2f56ed4-122f-3eaf-e053-3a05fe0a5d97
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2
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Stretchable nanocomposite electrodes with tunable mechanical properties by supersonic cluster beam implantation in elastomers, file e2f56ed4-1233-3eaf-e053-3a05fe0a5d97
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2
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Exploiting hydrogenation for thermal rectification in graphene nanoribbons, file e2f56ed4-94c8-3eaf-e053-3a05fe0a5d97
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2
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Interfacial Engineering of P3HT/ZnO Hybrid Solar Cells Using Phthalocyanines: A Joint Theoretical and Experimental Investigation, file e2f56ed4-d515-3eaf-e053-3a05fe0a5d97
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2
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Zinc Oxide-Zinc Phthalocyanine interface for Hybrid Solar Cells, file e2f56ed4-d517-3eaf-e053-3a05fe0a5d97
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2
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Bottom-up mechanical nanometrology of granular Ag nanoparticles thin films, file e2f56ed7-1ad5-3eaf-e053-3a05fe0a5d97
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2
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Phonon scattering in silicon by multiple morphological defects: a multiscale analysis, file e2f56ed7-824c-3eaf-e053-3a05fe0a5d97
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2
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Indications of Phonon Hydrodynamics in Telescopic Silicon Nanowires, file e2f56ed8-a2c8-3eaf-e053-3a05fe0a5d97
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2
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Thermal conduction and rectification phenomena in nanoporous silicon membranes, file 605c2b99-f439-45c0-89f8-4e2537452c30
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1
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Multiscale Modelling of Resistive Switching in Gold Nanogranular Films*, file a15e7266-c5d3-46cf-963a-0ddf6d98270e
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1
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Multiscale Modelling of Resistive Switching in Gold Nanogranular Films*, file b1a8ff85-cbd3-4e2b-8541-ec16ca4c3695
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1
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Lattice Thermal Conductivity of SiGe Nanocomposites, file e2f56ed3-8a97-3eaf-e053-3a05fe0a5d97
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1
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Effect of structural features on the thermal conductivity of SiGe-based materials, file e2f56ed3-9e28-3eaf-e053-3a05fe0a5d97
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1
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Poly(3-hexylthiophene) adhesion on Zinc Oxide Nanoneedles, file e2f56ed3-9ed0-3eaf-e053-3a05fe0a5d97
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1
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Polymer crystallinity and transport properties at the poly3-hexylthiophene/ZincPxide interface, file e2f56ed3-a50a-3eaf-e053-3a05fe0a5d97
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1
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Effect of hydrogenation on graphene thermal transport, file e2f56ed3-b015-3eaf-e053-3a05fe0a5d97
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1
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Adhesion and diffusion of Zinc-Phthalocyanines on the ZnO (10-10) surface, file e2f56ed3-b307-3eaf-e053-3a05fe0a5d97
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1
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Self-assembling of Zinc Phthalocyanines on ZnO (10(1)over-bar0) surface through multiple time scales, file e2f56ed3-b844-3eaf-e053-3a05fe0a5d97
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1
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Intrinsic thermal conductivity in monolayer graphene is ultimately upper limited: A direct estimation by atomistic simulations, file e2f56ed4-02a2-3eaf-e053-3a05fe0a5d97
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1
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null, file e2f56ed5-2af5-3eaf-e053-3a05fe0a5d97
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1
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Elucidating ligand binding and channel gating mechanisms in pentameric ligand-gated ion channels by atomistic simulations, file e2f56ed7-7a9d-3eaf-e053-3a05fe0a5d97
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1
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Understanding the Polymerization Process of Eumelanin by Computer Simulations, file e2f56ed7-f350-3eaf-e053-3a05fe0a5d97
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1
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Tuning the thermal conductivity of methylammonium lead halide by the molecular substructure, file e2f56ed8-3da7-3eaf-e053-3a05fe0a5d97
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1
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Mutagenesis computer experiments in pentameric ligand-gated ion channels: the role of simulation tools with different resolution, file e2f56ed8-a10c-3eaf-e053-3a05fe0a5d97
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1
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Interplay between synthetic conditions and micromorphology in poly (3, 4-ethylenedioxythiophene): tosylate (PEDOT: Tos): an atomistic investigation, file e2f56ed8-aac4-3eaf-e053-3a05fe0a5d97
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1
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| Totale |
4.544 |