Towards molecular spintronics
This Thematic Series covers all relevant aspects of molecular spintronics, synthesis of novel molecules, deposition on surfaces, characterization of structural, optical and electronic properties of films, and the implementation of molecular films in spintronic-relevant devices.
- Full Research Paper
- Published 06 Apr 2017
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Figure 1: Chemical structures of type I–IV complexes.
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Figure 2: Expected J couplings between the central and terminal paramagnetic metal ions in type III/IV comple...
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Scheme 1: Synthesis of the heterotrinuclear CuIINiIICuII type IV complexes 1–3.
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Figure 3: ORTEP diagrams (50% ellipsoid probability) of the molecular structures of 1A (top), 2A (middle) and ...
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Figure 4: Magnetization versus magnetic field M(H) of 1 at T = 1.8 K (symbols) together with the fit of M(H) ...
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Figure 5: Magnetization versus magnetic field M(H) of 2 at T = 1.8 K (symbols) together with the fit of M(H) ...
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Figure 6: Magnetization versus magnetic field M(H) of 3 at T = 1.8 K (symbols) together with the fit of M(H) ...
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Figure 7: Temperature dependence of the magnetic susceptibility χ = M/H and of the corresponding inverse susc...
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Figure 8: Temperature dependence of the magnetic susceptibility χ = M/H and of the corresponding inverse susc...
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Figure 9: Temperature dependence of the magnetic susceptibility χ = M/H and of the corresponding inverse susc...
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Figure 10: Main panel: Difference between the calculated and measured static susceptibility for 3. Inset: Temp...
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- Full Research Paper
- Published 25 Apr 2017
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Figure 1: Evolution of the valence-band PES data (He Iα) as a function of a) MnPc deposition onto C60 and b) C...
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Figure 2: Comparison of the energy shifts of core levels, valence-band features and the secondary-electron cu...
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Figure 3: Schematic energy level diagrams of a) MnPc/C60, when C60 is deposited onto MnPc and b) C60/MnPc, wh...
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- Full Research Paper
- Published 27 Apr 2017
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Figure 1: Chemical structures of the anionic complex fragments [Cu(opba)]2− (P1, left) and [Cu(opbon-Pr2)]2− (...
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Figure 2: Echo detected ESR spectra of P1 at a frequency ν = 9.85 GHz (X-band) and at T = 20 K for the magnet...
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Figure 3: Time dependence of the intensity of the echo signal for complex P1 at T = 30 K on a linear (main pa...
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Figure 4: Temperature dependence of the phase relaxation time Tm of P1 and P2 at a frequency ν = 9.85 GHz mea...
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Figure 5: Echo detected ESR spectra of P1 (top) and P2 (bottom) at a frequency ν = 33.899 GHz (P1) and 33.915...
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Figure 6: Temperature dependence of the phase relaxation time Tm of P1 and P2 at a frequency ν = 33.9 GHz for...
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Figure 7: Temperature dependence of the longitudinal relaxation time T1 of P1 and P2 at a frequency ν = 33.9 ...
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Figure 8: CPMG echoes for complex P1 for two levels of the microwave power attenuation of 3 dB and 13 dB. Not...
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Figure 9: CPMG experiment on complex P1 at ν = 33.9 GHz, T = 20 K, and H||z-axis: Separation of the refocused...
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Figure 10: The calculated decay of the primary echo signal as a function of the time delay τ between the two p...
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Figure 11: The calculated decay of the echo signal in the CPMG experiment as a function of the number n of the...
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Figure 12: Comparison of the experimental and model dependences of the decay of the primary (a,c) and CPMG ech...
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- Full Research Paper
- Published 03 May 2017
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Figure 1: (a) Representative SEM image of Au nanoantenna array; nanoantenna length 900 nm. (b) Detailed image...
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Figure 2: (a) Raman and SERS spectra of a cobalt phthalocyanine (CoPc) film with thickness of 3 nm deposited ...
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Figure 3: IR transmission spectrum of a 10 nm thick CoPc film deposited on a Si substrate normalized to the I...
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Figure 4: (a) IR spectrum of bare nanoantennas (curve 1) and IR spectra of nanoantennas with deposited 3 nm a...
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Figure 5: (a) The cortisol chemical structure and numeration of atoms in the cortisol molecule. (b) IR spectr...
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- Full Research Paper
- Published 17 May 2017
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Figure 1: (a) (200 × 200 nm2) High-resolution STM image (Ub = −0.5 V, Is = 0.3 nA) of Au (111) after depositi...
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Figure 2: (a) (14 × 14 nm2) STM image (Ub = −2.5 V, Is = 0.3 nA) of a fullerene island before Ar+ bombardment...
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Figure 3: Top and side views of the computed structure of C59 structural isomers. Carbon atoms around the vac...
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Figure 4: (a) Unit cell used in the calculations. (b) Top and side views of the 8,5-isomer with the single va...
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Figure 5: Calculated DOS of fullerenes with and without vacancy defects adsorbed on Au(111). In the case of d...
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- Full Research Paper
- Published 19 May 2017
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Figure 1: (a) Device layout of a bottom-contact organic field-effect transistor, showing n-Si as gate electro...
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Figure 2: Voltage dependence (Vd and Vg) of the magnetoresistance for compositions of (a) 51:49, (b) 78:22 an...
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Figure 3: The drain voltage VdSC, at which the sign reversal takes place, is plotted for different Vg for all...
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Figure 4: Representative MR line shape curves are shown at Vd = −5 V and +5 V. Black and red lines indicate f...
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Figure 5: The dependence of the MR line shape curves on the drain voltage Vd is shown for a mixing ratio of (...
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Figure 6: Voltage dependence of the line shape width B0. The values of B0 were obtained from fitting the data...
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Figure 7: Experimental raw data covering ultrasmall magnetic-field effects including a MR sign-reversal. For B...
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Figure 8: Ultrasmall magnetic field effects obtained for different compositions of Spiro-TTB/HAT-CN systems w...
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Figure 9: Magnetic-field effects in transistors based on different composition of Spiro-TTB and HAT-CN with a...
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- Full Research Paper
- Published 23 May 2017
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Figure 1: Topographic image (U = 2 V; I = 0.5 nA) of Er3N@C80 on W(110). The molecules appear as bright round...
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Figure 2: Topographic images (U = 1.5 V; I = 0.2 nA) of Er3N@C80 on Au(111). Figure (a) shows a one-dimension...
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Figure 3: The Er3N@C80-monolayer orientations on Au(111) and the new interfacial reconstruction are depicted ...
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Figure 4: The I/U-spectrum (a) and the normalized dlnI/dlnU-spectrum (b) of Er3N@C80/Au(111). The voltage is ...
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Figure 5: The left half of the constant-current-image (U = 1.5 V; I = 0.2 nA) (a) shows an Er3N@C80-monolayer...
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- Full Research Paper
- Published 02 Jun 2017
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Figure 1: Chemical structures of porphyrins and metalloporphyrins successfully deposited by organic molecular...
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Scheme 1: Synthetic methodology to prepare (metallo)porphyrins 2, 2a–d and 3, 3a–d.
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Figure 2: IR spectra (KBr) in the range of 500–1800 cm−1 for H2TPP(CONMe2)4 (2, top) and MTPP(CONMe2)4 (MII =...
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Figure 3: IR spectra (KBr) in the range of 500–1800 cm−1 for H2TPP(CON(iPr)2)4 (3, top) and MTPP(CON(iPr)2)4 ...
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Figure 4: Left: UV–vis spectra (CHCl3, 280–700 nm) of H2TPP(C(O)NMe2)4 (2) and MTPP(C(O)NMe2)4 (MII = Zn, 2a ...
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Figure 5: Top: TG traces of 3, 3b and 3d in comparison with H2TPP(OH)4. Bottom: TG traces of 2, 2c and 2d in ...
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- Letter
- Published 19 Jun 2017
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Figure 1: (a) Schematic picture of organic nanocrystal diode with rolled-up contact electrode. (b) Schematic ...
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Figure 2: (a) I–V characteristics of three kinds of nanopyramid structures: pure VOPc (black), F16CuPc/VOPc (...
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Figure 3: (a) Current–voltage characteristics of Au/F16CuPc/VOPc/F16CuPc/Au diode as a function of temperatur...
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- Full Research Paper
- Published 26 Jun 2017
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Scheme 1: Synthesis of the three different coordination polymers [FeLeq(bpea)]n (1), [FeLeq(bpee)]n (2) and [...
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Figure 1: Magnetic susceptibility data for the coordination polymers [FeLeq(bpea)]n (1) and [FeLeq(bpey)]n (3...
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Figure 2: Characterisation of CP–BCP composite micelles. a) TEM picture of 3e ([FeLeq(bpey)]n@BCP, five cycle...
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Figure 3: Characterisation of the magnetic properties of 1d and 3e Top: Mössbauer spectra of 1d (left) and 3e...
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- Full Research Paper
- Published 05 Jul 2017
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Scheme 1: Structure of the dinuclear complexes [M2L(μ-L’)](ClO4) and representation of the structure of compl...
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Figure 1: Ambidentate ligands with soft (–SH, –PPh2) and hard (–CO2H) donor functions.
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Scheme 2: Synthesis of the complexes 6–8 (the doubly deprotonated macrocycle H2L is represented as an ellipse...
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Figure 2: ORTEP (left) and van der Waals representations (right) of the molecular structure of the [Ni2L(O2C(...
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Figure 3: Ball and stick (left) and van der Waals representations (right) of the molecular structure of the [...
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Figure 4: Temperature dependence of the effective magnetic moment μeff (per dinuclear complex) for 7 (open tr...
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Figure 5: AFM topography characteristics considering a 1 × 1 μm2 area, after deposition of [Ni2L(HL5)](ClO4) (...
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Figure 6: Proposed binding mode of complex 7 to gold (left: van der Waals representation of the [Ni2L(L5)]+ c...
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- Review
- Published 11 Jul 2017
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Figure 1: Spin dependent processes in organic solar cells. (Right) The steps from light absorption (a) toward...
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Figure 2: Vector model of the spin states of a radical pair. Here the red and blue arrows show the spin vecto...
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Figure 3: Schematic representation of the energy levels of a radical pair. The spacing between the S and T0 l...
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Figure 4: Schematic representation of singlet−triplet transitions in a radical pair. Top: S−T0 transitions oc...
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Figure 5: Formation of MFEs upon recombination of SCRPs. In this example the (R1R2) molecule goes to the sing...
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Figure 6: Re-encounters of radicals. In liquids, particles usually move by means of diffusion. In this situat...
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Figure 7: Calculated time-resolved MFE traces as obtained by monitoring recombination fluorescence, resulting...
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Figure 8: MARY curve, i.e., magnetic field dependence of the reaction yield for a singlet-born radical pair. ...
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Figure 9: Principle of the RYDMR method. Top: reaction scheme – interconversion mixes the S and T0 of a radic...
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Figure 10: Top: Populations of the electronic spin state of an SCRP – when the radical pair is singlet-born in...
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Figure 11: Scheme of CIDNP formation by spin sorting at high magnetic fields. Top: EPR spectra of the two radi...
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Figure 12: Scheme of triplet-state OEP and ONP formation. In anisotropic molecules, the ISC process S1→T1 has ...
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- Full Research Paper
- Published 14 Jul 2017
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Figure 1: (a) Manganese phthalocyanine (MnPc) and tetracyanoquinodimethane (TCNQ) molecules. (b) Annealing pr...
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Figure 2: Optical micrographs for molecular thin films grown on glass substrates. (a) α-MnPc film grown at ro...
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Figure 3: (a) X-ray diffraction patterns. For an as-deposited 144 nm thick MnPc:TCNQ film on silicon (black) ...
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Figure 4: Magnetic hysteresis loops of a MnPc thin film on Kapton obtained from annealing of a MnPc:TCNQ blen...
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Figure 5: (a) Magnetisation as a function of the temperature at fields of 20 mT and 40 mT using both FC and Z...
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- Letter
- Published 21 Jul 2017
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Figure 1: Schematic diagram of the experimental setup: (a) Commercial bottom-contact OFET substrates; (b) pla...
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Figure 2: Light-switching behaviour of TIPS-pentacene-based (a) organic field-effect transistor (OFET) and (b...
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Figure 3: (a) Light switching of an OFET prepared by drop-coating of TIPS-pentacene diluted in water. The ins...
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- Review
- Published 04 Aug 2017
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Figure 1: Molecular structure of (a) transition metal phthalocyanines, (b) 1,3,4,5,7,8-hexafluorotetracyanona...
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Figure 2: Evolution of the electronic-excitation spectra of MnPc upon potassium doping as determined using el...
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Figure 3: C 1s (panel (a)) and K 2p (panel (b)) excitation edges of MnPc and the three potassium-doped phases...
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Figure 4: Panel (a): valence band photoelectron spectroscopy results for undoped and three potassium-doped Mn...
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Figure 5: Comparison of valence band photoelectron spectroscopy (UPS) data to those from density functional b...
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Figure 6: Core-level photoelectron spectroscopy data in the energy region of the Mn 2p3/2 core level (adapted...
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Figure 7: Results of the DFT calculations for the MnPc/F4TCNQ dimer model systems: a) The SOMO of MnPc and th...
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Figure 8: Comparison of the electronic excitation spectra of MnPc, F4TCNQ and the charge-transfer compound Mn...
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Figure 9: (a) Comparison of the electronic excitation spectra of MnPc, K1MnPc and MnPc/F4TCNQ as measured usi...
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Figure 10: Core-level photoelectron spectroscopy data in the energy region of the Mn 2p3/2 core level for the ...
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Figure 11: Valence-band photoemission data from the MnPc/F6TCNNQ interface as a function of the F6TCNNQ top-la...
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Figure 12: N 1s excitation spectra as obtained using X-ray absorption spectroscopy (adapted from [127]). Correspond...
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Figure 13: Polarization dependent X-ray absorption data at the Co L3 edge for a (a) 3 nm and (b) 0.6 nm F16CoP...
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Figure 14: Co 2p3/2 core-level photoemission spectra of a (a) thick and (b) thin F16CoPc layer on top of MnPc....
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Figure 15: Results of the DFT calculations for the MnPc/F16CoPc model systems: a) The hybrid state is formed b...
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- Review
- Published 29 Aug 2017
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Scheme 1: Chemical structures of (metallo)porphyrins under review here.
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Figure 1: Surface topography determined by AFM as a function of thickness. Cu-TMPP (= CuTPP(OMe)4) (a) 35 nm,...
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Figure 2: Formation of molecular dendrites in a 117 nm thick Cu-TMPP (= CuTPP(OMe)4) sample at different regi...
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Figure 3: Transport in Cu-TMPP (= CuTPP(OMe)4) films and dendrites, (a–d) AFM topography characteristics. The...
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Figure 4: Extinction coefficient k for a) H2TMPP, b) CuTMPP and c) NiTMPP. The uniaxial anisotropic model res...
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Figure 5: Energy dispersion of the magneto-optical Voigt constant Q for a) H2TMPP, b) CuTMPP and c) NiTMPP. F...
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Figure 6: MCD (ηF) spectra in the Q-band region for a) H2TMPP, b) CuTMPP and c) NiTMPP and the modelling with...
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Figure 7: Results of STM measurements: (a,b) Formation of small islands at submonolayer coverage. Molecules o...
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Figure 8: Highly resolved filled (a) and empty molecular states (b) STM image of the square structure of H2TH...
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Figure 9: (a) Large scale STM image of submonolayer coverage showing molecular chains and ordered islands of H...
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Figure 10: (a–e) Manipulation of the electronic structure by applying a voltage pulse with the STM tip at the ...
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Figure 11: Left: Evolution of the XPS spectra of Br 3d for a molecular monolayer of CuTPP(Br)8 on Au(111) as a...
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Figure 12: Results of STM measurements: (a) Novel structure of the alternating molecular rows formed after ann...
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- Review
- Published 13 Sep 2017
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Figure 1: Schematic of an organic ferromagnetic device.
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Figure 2: (a) Current–voltage characteristics for a OF device with N = 20 carbon sites. (b) Spin polarization...
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Figure 3: Density of states of the OF device at a bias of 0.8 V. Here, the Fermi energy of the electrodes is ...
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Figure 4: (a) Spin polarization of the current as a function of the spin coupling strength j for a bias of 0....
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Figure 5: Density of states of (a) Co and (b) the OF poly-BIPO. The molecular length is 20 sites. (c) Schemat...
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Figure 6: Current–voltage characteristics of a Co/OF/Co junction for the four magnetization configurations C1...
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Figure 7: Spin-dependent transmission Tσσ(E) as a function of energy close to the Fermi energy for the four m...
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Figure 8: Bias-dependent (a) CC and (b) SC through an asymmetric OF device with N = 20 and EF = 0. The arrows...
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Figure 9: Spin-dependent transmission near the Fermi energy for N = 20 and EF = 0 at the bias voltages (a) 0 ...
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Figure 10: Bias-dependent (a) CC and (b) SC for N = 32 and EF = 0.3 eV. The arrows in panel (b) indicate the S...
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Figure 11: Spin-dependent transmission near the Fermi energy for N = 32 and EF = 0.3 eV at the bias voltages (...
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Figure 12: Bias-dependent (a) molecular eigenlevels and (b) electronic localization of the spin-up LUMO and th...
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- Full Research Paper
- Published 06 Oct 2017
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Figure 1: Results of DFT calculations for phthalocyanine stacks on fcc-Au(111) surfaces: relaxed geometries o...
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Figure 2: I–V curves calculated within the DFT-NEGF method for the sandwich structure a) CoPc/CoPc and b) F16...
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Figure 3: Results of DFT calculations for phthalocyanine stacks on fcc-Ni(111) surfaces: relaxed geometries o...
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Figure 4: Calculated TMR for the sandwich structure a) CoPc/CoPc and b) F16CoPc/MnPc on Ni(111). The TMR as a...
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Figure 5: Absolute value squared of the tunneling amplitude a) between the STM tip and a CoPc HOMO on a graph...
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Figure 6: Average imbalance
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between the occupations nA and nB of the two checkerboard sublattices for a) asy...
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Figure 7: Average current
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per site for a) asymmetric tunneling, Γtop/Γbottom = 0.5, and b) symmetric tunneli...
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- Full Research Paper
- Published 12 Oct 2017
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Figure 1: Molecular structures of the molecules involved in the study and shortened forms of their names (in ...
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Figure 2: a) STM constant height image (1.2 V, 1 nA) of a TMA–undecanol linear pattern (LP0) formed on HOPG (...
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Figure 3: STM constant height image (1.2 V, 1 nA) of linear pattern LP4 (a), monoester type-I (c), and monoes...
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Figure 4: STM constant current image (1.1 V, 1 nA) of TMA–monoundecyl ester type-I obtained from a TMA–undeca...
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Figure 5: STM constant height images (1.2 V, 1.3 nA) of monoester obtained from a TMA–undecanol solution on H...
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Figure 6: Simulation of the STM constant height mode images (HOMO (a) and LUMO (b)) of a single monoester mol...
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Figure 7: STM constant height image (1.2 V, 1 nA) of the linear pattern of the synthesized monoester at the H...
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Scheme 1: Proposed scheme of ester formation from TMA and undecanol via an intermediate dimer.
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Figure 8: Energy diagram of the reaction path of TMA and undecanol to form TMA–undecyl ester and water for is...
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Figure 9: Three possible hypotheses for the formation of the monoester from TMA and undecanol.
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- Published 27 Oct 2017
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Scheme 1: Chemical structures of type I–IV species and principal synthetic strategy to obtain type II–IV comp...
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Figure 1: Chemical structures of reviewed pairs of diamagnetic Ni(II) and the corresponding Cu(II) complexes.
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Figure 2: Top: Schematic representation of the successful co-crystallization of a mixture of two different Cu...
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Figure 3: Experimental (E) and simulated (S) X-band ESR spectra of 4@3 at 90° orientation (B0
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molecular plan...
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Figure 4: Scheme of the principal axes of the Cu and N HF tensors and the g-tensor. Reproduced with permissio...
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Figure 5: Experimental (E) and simulated (S) Davies ENDOR spectra of 8@7 at (ν = 9.56 GHz, T = 20 K) at six d...
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Figure 6: Experimental (E) and modeled (M) EDNMR spectra of 8@7 at the Q-band frequency, at T = 20 K and at f...
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Figure 7: Selected values of calculated versus experimentally determined spin densities of 2, 4, 6, 8, and 10...
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Figure 8: EDNMR-determined spin densities of the N donor atoms of 8 and 10 and J values of their correspondin...
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- Full Research Paper
- Published 23 Nov 2017
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Figure 1: Low-symmetry FeTPP conformations: a) ideal (D4h); b) saddle (D2d); c) twist (S4); d) deckchair (C2h...
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Figure 2: Activation energy to pass from the twist form (S4) to the saddle shape (D2d) and from the saddle sh...
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Figure 3: a) T-type (saddle conformation) and b) π–π-type (deckchair conformation) arrangements of FeTPP in 2...
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Figure 4: calculated activation barrier between HS (S = 2) and IS (S = 1) of a FeTPP molecule in C2h conforma...
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Figure 5: Conformation of the central porphyrin core in a) HS state; b) IS state (phenyl rings were omitted f...
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Figure 6: Calculated activation barrier between HS (S = 2) and IS (S = 1) of FeTPP (C2h conformation) adsorbe...
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Figure 7: Spin-resolved PDOS on d-orbitals of the Fe atom of HS FeTPP (a) at the fcc site of Au(111) and (b) ...
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Figure 8: Spin-resolved PDOS of FeTPP. a) free molecule (red), adsorbed on fcc site of b) Au(111) (green), c)...
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