Energy-related nanomaterials
The triple “generation, conversion and storage of energy” are the fundamental building blocks toward realizing the general aim of an energy supply on demand as unrestricted as possible. Meanwhile, however, it has become clear that this general aim leads to conflicting feedback loops on the ecological environment. Growing awareness of such deteriorating feedbacks has triggered worldwide activities to search for technical approaches in order to at least reduce the negative environmental consequences of energy consumption. At this point, materials science plays a central role. The contributions to this Thematic Series cover a plethora of research fields from materials-related problems that concern fuel cells, Li-based batteries, and organic solar cells, to energy-related applications of nanographite and silicon nanotubes as well as the optimization of thermoelectric materials and electrochemistry-based microscopy.
- Full Research Paper
- Published 22 Apr 2013
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Figure 1: Structure of the 3,3′-BTP molecule.
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Figure 2: Structural models used to derive the free enthalpy of adsorption of a dissolved molecule: (a) adsor...
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Figure 3: Force-field molecular dynamics densities of water and TCB at 298 K. Experimental values for water a...
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Figure 4: Equilibrium distance and interaction energy for water dimers, calculated with different force field...
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Figure 5: Force field molecular dynamics result for the free energy of solvation Esolv for pyridine and benze...
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Figure 6: Force-field molecular dynamics result for the free energy of solvation Esolv for 3,3′-BTP in water ...
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Figure 7: Adsorption energy of a 3,3′-BTP molecule on graphite: under vacuum conditions and at the solid/liqu...
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Figure 8: Structural models of the different 3,3′-BTP surface structures that have been observed at the liqui...
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Figure 9: Plot of the free adsorption enthalpy of different 3,3′-BTP phases against the chemical potential ob...
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- Full Research Paper
- Published 17 Jul 2013
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Figure 1: The plot of Rietveld refinement for the S1 sample. Experimental and difference curves, and position...
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Figure 2: Dependence of the Re3As7−xInx cubic-unit-cell parameter on the nominal indium content. Esd’s are ca...
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Figure 3: Polyhedral view of the Re3As7−xInx crystal structure. Re is shown as black spheres inside the polyh...
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Figure 4: Coordination polyhedra of E1 (left) and As2 (right) sites in the crystal structure of Re3As7−xInx.
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Figure 5: Density-of-states curve for Re3As7. Re contribution: dashed line, As1 and As2: light and dark gray ...
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Figure 6: Magnetic susceptibility-versus-temperature plots for the Re3As7 and S1 samples. The contribution of...
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Figure 7: Thermoelectric properties of the S1 sample as a function of temperature. Solid lines are drawn to g...
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- Full Research Paper
- Published 31 Jul 2013
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Figure 1: RBS spectra of FeGa3 (a) and CoGa3 (b) films deposited onto Si substrates. RUMP simulations (solid ...
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Figure 2: Electrical resistivity of FeGa3, CoGa3 and Fe0.75Co0.25Ga3 films as a function of temperature. The ...
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Figure 3: Seebeck coefficients of FeGa3, CoGa3 and Fe0,75Co0,25Ga3 films deposited on thin glass substrates m...
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- Full Research Paper
- Published 21 Aug 2013
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Figure 1: Chemical structure of poly[oxy-3,3-bis(4′-benzimidazol-2″-ylphenyl)phtalide-5″(6″)-diyl] (PBI-O-PhT...
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Figure 2: Equivalent circuit with a transmission line for modelling the impedance response of the active laye...
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Figure 3: Small angle X-ray scattering results for the different types of composites and the reference membra...
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Figure 4: FT-IR spectra of a mixture of BI with Zr(acac)4 (4:1 molar ratio, upper spectrum) and of the produc...
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Figure 5: Possible mechanism of the crosslinking process of PBI by Zr(acac)4 and further doping with PA.
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Figure 6: Change of the relative membrane thickness in a series of five consecutive heating/cooling cycles. T...
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Figure 7: Thermal expansion coefficients of the composite membranes.
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Figure 8: Performance of fuel cells based on PBI membranes of different types. Air is used as an oxidant, T =...
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Figure 9: Oxidation current of hydrogen diffusing through the membrane for PBI-O-PhT with 0.75 wt % Zr(OAc)4....
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Figure 10: Membrane resistances as functions of the current density for fuel cells with different PBI membrane...
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Figure 11: Distributed cathode active layer resistances as functions of current density for fuel cells with di...
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Figure 12: The double layer capacitance as a function of the current density for fuel cells with different PBI...
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Figure 13: Polarization resistance (the sum of charge-transfer and mass-transfer resistances) as a function of...
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Figure 14: 2000-hour stability test of a composite PBI-O-PhT + 0.75 wt % Zr(acac)4 membrane and the reference ...
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- Full Research Paper
- Published 28 Aug 2013
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Figure 1: Experimental setup with a pencil as a graphite cathode and a glass plate with a conductive ITO laye...
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Figure 2: Typical FE current vs voltage dependence measured from the pencil tip.
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Figure 3: Typical SEM images of NGF material taken with different magnifications: overview of the mesoporous ...
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Figure 4: HRTEM image of the top-edge fragment of the graphite flake extracted from NGF material.
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Figure 5: Photograph of the CL diode lamp with an NGF cathode with an emitting surface (of about 1 mm diamete...
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Figure 6: Photographs showing the general design of the CL lamp (left side) and the light emission from RGB s...
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Figure 7: Emission spectra and color coordinates (CIE 1931 Chromaticity Diagrams) for light emitted by red (A...
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- Full Research Paper
- Published 26 Sep 2013
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Figure 1: (a) Nafion chain. (b) Nafion sulfonated monomer.
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Figure 2: (a) Fragment of a Nafion chain with sulfonic acid groups in dissociated state. The side chains are ...
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Figure 3: Typical structures predicted by fully atomistic molecular dynamics simulations for hydrated Nafion ...
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Figure 4: Partial structure factors, S(q), of the water phase (red line) calculated for (a) the 524,864-atom ...
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Figure 5: Ordered bicontinuous double diamond structure (space group 224), which contains two separate, conne...
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Figure 6: (a) Atomistic representation of the 524,864-atom system and (b) the isodensity surface that demonst...
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Figure 7: The potential of mean force, W+–(r), and the energetic and entropic contributions, ΔU and –TΔS, to W...
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Figure 8: The surfaces (a) ΔU(r,T) and (b) –TΔS(r,T) calculated for the region 2.2 < r < 6 Å via the separati...
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Figure 9: Spectral densities of (a) the hindered translational motions of individual cations and (b) the coll...
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Figure 10: Model of the ion-conducting channel studied by quantum molecular dynamics. The initial configuratio...
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Figure 11: Snapshot of the water-containing Nafion structure obtained after the 200 ps QMD simulation at 298 K...
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Figure 12: (a) Pair correlation functions, gOH(r), for the oxygen atoms of the SO3 groups and any proton, at λ...
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Figure 13: Sequence of snapshots from the QMD simulation of the ion-conducting nanochannel at different time p...
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Figure 14: A 5-ps section of a QMD trajectory showing the change in the relative content of different hydrated...
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Figure 15: (a) Normalized time autocorrelation functions for the processes [A](t), where A denotes H3O+, H5O2+...
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Figure 16: The Gs(r,t) correlation function is the time-dependent conditional probability density that a parti...
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- Full Research Paper
- Published 14 Oct 2013
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Figure 1: AFM topography images of Prussian blue layer (left) and Ni-HCF layer (right) deposited on top (cont...
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Figure 2: Cyclic voltammogram of three PB-Ni-HCF bilayers deposited on a platinum ultramictroelectrode (0.1 M...
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Figure 3: Standard addition curve for hydrogen peroxide recorded at 0 mV vs Ag/AgCl at a platinum UME (diam. ...
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Figure 4: SECM image of an H2O2-generating gold electrode (diam. of 25 µm). A and B are 2D plots of images re...
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- Full Research Paper
- Published 18 Oct 2013
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Figure 1: First galvanostatic discharge/charge curve of a typical Li–O2 battery consisting of a carbon-based ...
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Figure 2: Electrochemical impedance spectra of pristine (black), once discharged (red) and re-charged (green)...
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Figure 3: X-ray diffractograms of pristine, discharged and charged carbon cathodes. Note the additional peaks...
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Figure 4: SEM micrographs of (A) pristine electrode, (B) discharged electrode for which the capacity was limi...
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Figure 5: First galvanostatic curve of a Li–O2 battery discharged up to 1000 mAh·(g carbon)−1.
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Figure 6: Microstructures of (A) discharged and (B) recharged electrodes. The formation of lithium peroxide c...
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- Full Research Paper
- Published 24 Oct 2013
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Scheme 1: Alternative synthetic routes used to yield DCV5T-Bu4.
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Figure 1: (a) Absorption spectrum of DCV5T-Bu4 measured in chloroform and as thin film, spin-coated from chlo...
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Figure 2: Diagram showing the HOMO and LUMO energy levels of DCV5T-Bu4, PCBM derivatives [34,35], and C60.
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Figure 3: J–V curve of DCV5T-Bu4:PC61BM solution-processed solar cells made from 1:1 blends spin-coated from ...
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Figure 4: Power conversion efficiency of DCV5T-Bu4:PC61BM solution-processed solar cells as a function of CN ...
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Figure 5: (a) Normalized absorption spectra of DCV5T-Bu4:PC61BM blends spin-coated from CB, CB:CN (0.375% wt....
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Figure 6: AFM phase images of samples spin-coated on ITO|PEDOT:PSS| with (a) DCV5T-Bu4:PC61BM from CB, (b) DC...
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Supp. Info
- Letter
- Published 30 Oct 2013
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Figure 1: XRD pattern and Raman spectrum (inset) of [Fe3O4-C].
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Figure 2: SEM (top left) and TEM images of [Fe3O4–C].
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Figure 3: Nitrogen isotherm (inset) and pore width profile (cumulative: open circles, differential: filled ci...
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Figure 4: Electrochemical properties of [Fe3O4–C]. (a) Charge/discharge curves, (b) cyclic voltammograms, (c)...
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- Full Research Paper
- Published 01 Nov 2013
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Figure 1: Cycling behavior of C(FeF2)0.55, C(FeF2)0.55_200, C(FeF2)0.55_300 and C(FeF2)0.55_400. The material...
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Figure 2: XRD pattern (Mo Kα) of: a) Nanocomposites with different C/F ratio, b) CFx precursors. *:FeF2; §:C ...
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Figure 3: Measured Raman spectra and G-mode shifts of the different nanocomposites.
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Figure 4: C K-edge EEL spectra of compounds with different carbon contents.
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Figure 5: EEL spectra of C(FeF2)0.25_300. The spectrum shows the F K-edge and the Fe L3- and Fe L2-edges.
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Figure 6: TEM and SAED pictures of a) C(FeF2)0.5_300, b) C(FeF2)0.35_300, c) C(FeF2)0.25_300 and d) one compl...
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Figure 7: Discharge capacities at: a) 25 °C, b) 40 °C. The samples were cycled with a current density of 25 m...
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Figure 8: Charge/discharge profiles for the first 20 cycles of the nanocomposites at 25 °C. The samples were ...
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Figure 9: Long time cycling of C(FeF2)0.25_300. a) Specific discharge capacity at different temperatures, b) ...
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- Letter
- Published 15 Nov 2013
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Figure 1: (a) Typical SEM image of the pristine porous gold electrodes. (b) Discharge voltage profiles record...
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Figure 2: SEM images of the porous gold electrode discharged at 50 μA/cm2 (a) and 200 μA/cm2 (b). (c) Raman s...
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Figure 3: (a) SEM image of the Li2O2 precipitate obtained by the chemical reaction of KO2 with a solution of ...
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Scheme 1: The suggested scheme for the formation of the Li2O2 precipitate during the discharge of a Li–O2 cel...
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- Full Research Paper
- Published 09 Dec 2013
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Figure 1: Crystal structure of 3D-Li2MPO4F, positions of Li atoms are denoted.
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Figure 2: Cyclovoltammetry curves (first cycle) of 1 M LiPF6 in EC/DMC (black) and 1 M LiBF4 in TMS (red) at ...
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Figure 3: Powder XRD patterns of Li2CoPO4F/C (a) and Li2Co0.9Mn0.1PO4F (b). A theoretical pattern of Li2CoPO4...
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Figure 4: SEM images of fluorophosphate materials a) Li2CoPO4F/C, b) Li2Co0.9Mn0.1PO4F/C, c) Li2Co0.7Fe0.3PO4...
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Figure 5: a) XRD patterns of a mixture of LiCo0.7Fe0.3PO4 and LiF, annealed at different temperatures, starti...
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Figure 6: Charge-discharge curves of Li2CoPO4F in the commercial (a) and in the sulfone-based electrolytes (b...
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Figure 7: Cyclovoltammetry curves of the Li2Co0.9Mn0.1PO4F electrodes in the commercial (a) and the sulfone-b...
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Figure 8: Charge–discharge curves of Li2Co0.9Mn0.1PO4/C in the commercial (a) and the sulfone-based (b) elect...
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- Full Research Paper
- Published 16 Dec 2013
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Figure 1: (a) Ball and stick model of 1-butyl-1-methylpyrrolidinium-bis(trifluoromethylsulfonyl)imide [BMP][T...
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Figure 2: STM image of a submonolayer film of [BMP][TFSA] adsorbed on Ag(111); the narrow terraces of the sur...
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Figure 3: Sequence of STM images of [BMP][TFSA] adsorbed on Ag(111), acquired at 124 K, imaging the phase bou...
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Figure 4: High resolution STM images of the 2D crystalline structures on Au(111) (a, b) and Ag(111) (c). The ...
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Figure 5: (a) STM image of a monolayer film of [BMP][TFSA] on Au(111), showing both 2D crystalline islands as...
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Figure 6: Time sequence of STM images at the phase boundary of the 2D crystalline phase of [BMP][TFSA] on Ag(...
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- Full Research Paper
- Published 06 Jan 2014
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Figure 1: Perspective view of silicon nanotubes (4,4) (a), (6,6) (b) and (10,0) (c).
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Figure 2: Band structures of silicon nanotubes (4,4) (a), (6,6) (b) and (10,0) (c). The Fermi level is set at...
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Figure 3: Charge density of the last valence band (a) and the first conduction band (b) of (4,4) SiNT at the k...
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Figure 4: Absorption spectra of silicon nanotubes for light polarization along the tube calculated with and w...
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Figure 5: Electron probability distribution |ψ(re;rh)|2 for finding the electrons re with the hole position rh...
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Figure 6: One-dimensional electron probability distribution |Ψ(re;rh)|2 in real space of the first excitonic ...
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