693.932 PEOPLE
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| Naji, M. |
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| Aletan, Dirar |
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| Ertürk, Emre |
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| Petrov, R. H. | Madrid |
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| Casati, R. |
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| Azevedo, Nuno Monteiro |
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| Rignanese, Gian-Marco |
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Karppinen, Maarit
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (60/60 displayed)
- 2024Block Copolymer Approach toward Selective Atomic-Layer Deposition of ZnO Films
- 2024Atomic and Molecular Layer Deposition of Functional Thin Films Based on Rare Earth Elementscitations
- 2024High-pressure evolution of novel R2CuTiO6 (R = Tb – Lu) perovskite phasescitations
- 2024Layer-Engineered Functional Multilayer Thin-Film Structures and Interfaces through Atomic and Molecular Layer Depositioncitations
- 2024Conformal High-Aspect-Ratio Solid Electrolyte Thin Films for Li-Ion Batteries by Atomic Layer Depositioncitations
- 2024Chemical Bonding and Crystal Structure Schemes in Atomic/Molecular Layer Deposited Fe-Terephthalate Thin Filmscitations
- 2024Massive reduction in lattice thermal conductivity and strongly enhanced thermoelectric properties in Ge- and Se-doped CoSbScitations
- 2023Block Copolymer Approach toward Selective Atomic-Layer Deposition of ZnO Films
- 2023Tunable Low-Temperature Thermoelectric Transport Properties in Layered CuCr(S1-xSex)2 Systemcitations
- 2023Understanding the multilevel phenomena that enables inorganic atomic layer deposition to provide barrier coatings for highly-porous 3-D printed plastic in vacuums
- 2023Understanding the multilevel phenomena that enables inorganic atomic layer deposition to provide barrier coatings for highly-porous 3-D printed plastic in vacuums
- 2023CVD nanocrystalline multilayer graphene coated 3D-printed alumina latticescitations
- 2023High-Quality Magnetically Hard ε-Fe2O3 Thin Films through Atomic Layer Deposition for Room-Temperature Applicationscitations
- 2023Tunable Low‐Temperature Thermoelectric Transport Properties in Layered CuCr(S<sub>1‐x</sub>Se<sub>x</sub>)<sub>2</sub> Systemcitations
- 2022Simultaneously enhanced electrical conductivity and suppressed thermal conductivity for ALD ZnO films via purge-time controlled defectscitations
- 2022Atomic Layer Deposition of Intermetallic Fe4Zn9 Thin Films from Diethyl Zinccitations
- 2022Luminescent (Er,Ho)2O3 thin films by ALD to enhance the performance of silicon solar cellscitations
- 2022CVD nanocrystalline multilayer graphene coated 3D-printed alumina latticescitations
- 2022p-type to n-type conductivity transition in thermoelectric CoSbScitations
- 2022High‐Quality Magnetically Hard ε‐Fe 2 O 3 Thin Films through Atomic Layer Deposition for Room‐Temperature Applicationscitations
- 2022SnO deposition via water based ALD employing tin(ii) formamidinate: precursor characterization and process developmentcitations
- 2021Luminescent (Er,Ho)2O3 thin films by ALD to enhance the performance of silicon solar cellscitations
- 2021Atomic Layer Deposition of Copper Metal Films from Cu(acac)<sub>2</sub> and Hydroquinone Reductantcitations
- 2021Rational development of guanidinate and amidinate based cerium and ytterbium complexes as atomic layer deposition precursors
- 2021Mechanics of nanoscale ϵ-Fe 2 O 3 /organic superlattices toward flexible thin-film magnetscitations
- 2021Rational Development of Guanidinate and Amidinate Based Cerium and Ytterbium Complexes as Atomic Layer Deposition Precursors : Synthesis, Modeling, and Applicationcitations
- 2021Thermal transport and thermoelectric effect in composites of alumina and graphene-augmented alumina nanofiberscitations
- 2021Photoactive thin-film structures of curcumin, TiO2 and ZnOcitations
- 2021Emergence of Metallic Conductivity in Ordered One-Dimensional Coordination Polymer Thin Films upon Reductive Dopingcitations
- 2020Organic-Component Dependent Crystal Orientation and Electrical Transport Properties in ALD/MLD Grown ZnO-Organic Superlatticescitations
- 2020Atomic layer deposition of thermoelectric layered cobalt oxidescitations
- 2020Modulating the Structure and Magnetic Properties of ϵ-Fe2O3 Nanoparticles via Electrochemical Li+ Insertioncitations
- 2020Vacuum Outgassing Characteristics of Unpigmented 3-D Printed Polymers Coated with ALD Aluminacitations
- 2020Vacuum Outgassing Characteristics of Unpigmented 3-D Printed Polymers Coated with ALD Aluminacitations
- 2019New s-Block Metal Pyridinedicarboxylate Network Structures through Gas-Phase Thin-Film Synthesiscitations
- 2019Up-converting ALD/MLD thin films with Yb3+, Er3+ in amorphous organic frameworkcitations
- 2018Structural distinction due to deposition method in ultrathin films of cellulose nanofibrescitations
- 2018Time-effective synthesis of rhombohedral CuAlO2 from mesoporous alumina substratecitations
- 2018Electronic and Vibrational Properties of TiS2, ZrS2, and HfS2citations
- 2018Electronic and Vibrational Properties of TiS2, ZrS2, and HfS2: Periodic Trends Studied by Dispersion-Corrected Hybrid Density Functional Methodscitations
- 2018Atomic Layer Deposition of Conducting CuS Thin Films from Elemental Sulfurcitations
- 2017Strongly reduced thermal conductivity in hybrid ZnO/nanocellulose thin filmscitations
- 2017Atomic layer deposition of nickel–cobalt spinel thin filmscitations
- 2017Titanium dioxide thin films by atomic layer deposition: A reviewcitations
- 2017Efficient Process for Direct Atomic Layer Deposition of Metallic Cu Thin Films Based on an Organic Reductantcitations
- 2016Isovalent Ca and Ba substitutions in thermoelectric layer-structured oxyselenide Sr2CoO2Cu2Se2citations
- 2016Substantially enhanced Raman signal for inorganic-organic nanocomposites by ALD-TiO2 cappingcitations
- 2016Heat-transport mechanisms in molecular building blocks of inorganic/organic hybrid superlatticescitations
- 2016Environmental transmission electron microscopy investigations of Pt-Fe2O3 nanoparticles for nucleating carbon nanotubescitations
- 2014Characterization of magnetic properties of Sr2CuWO6 and Sr2CuMoO6citations
- 2014Organic and inorganic–organic thin film structures by molecular layer deposition: A reviewcitations
- 2014Organic and inorganic-organic thin film structures by molecular layer depositioncitations
- 2011Effect of heat-treatment on the performance of gas barrier layers applied by atomic layer deposition onto polymer-coated paperboardcitations
- 2011Thin Al 2 O 3 barrier coatings onto temperature-sensitive packaging materials by atomic layer depositioncitations
- 2010Effect of corona pre-treatment on the performance of gas barrier layers applied by atomic layer deposition onto polymer-coated paperboardcitations
- 2010Atomic layer deposited aluminum oxide barrier coatings for packaging materialscitations
- 2010Superconductivity and oxygen ordering correlations in the homologous series of (Cu, Mo)Sr2(Ce, Y)sCu2O5+2s+[delta]citations
- 2010Effect of corona pre-treatment on the performance of gas barrier layers applied by atomic layer deposition onto polymer coated paperboardcitations
- 2006Competition between intragranular and intergranular tunneling magnetoresistance in polycrystalline Sr2FeMoO6citations
- 200457 Fe Mössbauer spectroscopy investigation of the Fe II/III mixed-valence state and the B-site order in double perovskite A 2 FeMoO 6citations
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article
Electronic and Vibrational Properties of TiS2, ZrS2, and HfS2
Abstract
<p>The electronic and vibrational properties of TiS2, ZrS2, and HfS2 have been studied using dispersion-corrected hybrid density functional methods. The periodic trends in electronic band structures, electronic transport coefficients, IR and Raman spectra, and phonon dispersion relations were investigated. Comparison to the available experimental data shows that the applied DFT methodology is suitable for the investigation of the layered transition metal dichalcogenide materials with weak interlayer van der Waals interactions. The choice of damping function in the D3 dispersion correction proved to have a surprisingly large effect. Systematic investigation of the periodic trends within group 4 disulfides reveals that TiS2 shows many differences to ZrS2 and HfS2 due to the more covalent M-S bonding in TiS2. ZrS2 and HfS2 mainly show differences for properties where the atomic mass plays a role. All three compounds show similar Seebeck coefficients but clear differences in the relative electrical conductivity of cross- and in-plane directions. The transport and vibrational properties of thin TiS2 single crystals were also investigated experimentally.</p>