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4 article(s) from Valentí, Roser

Dynamics and fragmentation mechanism of (C₅H₄CH₃)Pt(CH₃)₃ on SiO₂ surfaces

Kaliappan Muthukumar,
Harald O. Jeschke and
Roser Valentí

Beilstein J. Nanotechnol. 2018, 9, 711–720, doi:10.3762/bjnano.9.66

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Figure 1: Schematic representation of the initial orientations of (C₅H₄CH₃)Pt(CH₃)₃ on 11% (Model-1 to Model-...

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Figure 2: Relaxed structures of (C₅H₄CH₃)Pt(CH₃)₃ on the (a, b) 11% and (c–e) 22% partially dehydroxylated su...

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Figure 3: (a) Reduced supercell with the fully hydroxylated SiO₂ considered for the molecular dynamics simula...

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Figure 4: The configurations of (C₅H₄CH₃)Pt(CH₃)₃ obtained from molecular dynamics simulations (20 ps) on (a)...

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Scheme 1: Possible reaction channels for the dissociation of (C₅H₄CH₃)Pt(CH₃)₃ after its interaction with par...

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Figure 5: Energetics for different pathways (Path 1–3 and Path A–D) for the dissociation of precursor molecul...

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Full Research Paper

Published 23 Feb 2018

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Surface excitations in the modelling of electron transport for electron-beam-induced deposition experiments

Francesc Salvat-Pujol,
Roser Valentí and
Wolfgang S. Werner

Beilstein J. Nanotechnol. 2015, 6, 1260–1267, doi:10.3762/bjnano.6.129

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Figure 1: Example incoming trajectories (dotted lines) in the surface-scattering zone (typically 15 Å above a...

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Figure 2: Comparison of reflection-electron-energy-loss spectra (REELS) of Si (left) and Cu (right) under bom...

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Figure 3: Simulation geometry: 1 keV electrons impinge normally onto the material (Si or Cu); all backscatter...

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Figure 4: (Upper panel) Reflection-electron-energy-loss spectrum (REELS) of Si under 100 eV bombardment (see [55]...

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Figure 5: Same as Figure 4 with the inclusion of surface excitations in the modelling of electron transport through t...

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Review

Published 03 Jun 2015

Full text

Simulation of electron transport during electron-beam-induced deposition of nanostructures

Francesc Salvat-Pujol,
Harald O. Jeschke and
Roser Valentí

Beilstein J. Nanotechnol. 2013, 4, 781–792, doi:10.3762/bjnano.4.89

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Figure 1: Schematic representation of a random trajectory generated by PENELOPE [7]. The trajectory is determine...

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Figure 2: Cylindrical sample geometries used in the simulations. Top: A 300 nm thick amorphous SiO₂ substrate...

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Figure 3: Snapshot of 50 simulated electron trajectories in the SiO₂ substrate (left) and in the nanostructur...

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Figure 4: Inelastic mean free paths for the relevant materials in this work presented in the usual log–log sc...

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Figure 5: (a) Distribution of electrons backscattered and emitted into the vacuum from the substrate in absen...

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Figure 6: Distribution of electrons backscattered and emitted into the vacuum from the substrate in the absen...

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Figure 7: Energy deposited in the system as a function of the depth z for the indicated sample thicknesses d_W...

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Figure 8: Same as Figure 7 for a fixed deposit density (ρ = 10.6092 g/cm³) and a variable tungsten content.

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Figure 9: IMFP in the different deposits with fixed density (ρ = 10.6092 g/cm³) and a variable tungsten conte...

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Figure 10: Same as Figure 7 for a fixed composition (27.5% W, 50.4% C, 22.1% O) and a variable density.

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Figure 11: IMFP in different deposits with fixed composition (27.5% W, 50.4% C, 22.1% O) and a variable densit...

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Figure 12: Charge deposited into the system as a function of the depth z for the indicated sample thicknesses d...

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Figure 13: Distribution of energy deposited in WC_1.75O_0.75 as a function of the depth z and the radial coordin...

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Figure 14: Same as Figure 13 for the charge deposited in WC_1.75O_0.75.

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Full Research Paper

Published 22 Nov 2013

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Spontaneous dissociation of Co₂(CO)₈ and autocatalytic growth of Co on SiO₂: A combined experimental and theoretical investigation

Kaliappan Muthukumar,
Harald O. Jeschke,
Roser Valentí,
Evgeniya Begun,
Johannes Schwenk,
Fabrizio Porrati and
Michael Huth

Beilstein J. Nanotechnol. 2012, 3, 546–555, doi:10.3762/bjnano.3.63

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Figure 1: (a) Optical micrograph of the Co dissociation product on the plasma-activated silica surface. The d...

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Figure 2: SEM images of Co deposited on the plasma-pretreated silicon oxide and gold. The picture on the top ...

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Figure 3: (a) SEM micrograph of Co deposit formed after electron pre-irradiation of the rectangular area depi...

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Figure 4: (a) Temperature dependence of resistivity of Co deposit grown on the plasma-activated SiO₂ surfaces...

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Figure 5: (a) Top and (b) side view of DFT optimized structure of Co₂(CO)₈ and its frontier orbitals (c) HOMO...

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Figure 6: Schematic representation of the starting configurations with possible Co₂(CO)₈ orientations, consid...

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Figure 7: (a) Most stable structure of Co₂(CO)₈ on the (a) FOH-SiO₂ and (b) POH-SiO₂ surfaces. The molecule d...

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Figure 8: Band decomposed charge density for the valence band maximum for Co₂(CO)₈ on the (a) FOH-SiO₂ and (b...

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Full Research Paper

Published 25 Jul 2012

Full text

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Dynamics and fragmentation mechanism of (C5H4CH3)Pt(CH3)3 on SiO2 surfaces

Surface excitations in the modelling of electron transport for electron-beam-induced deposition experiments

Simulation of electron transport during electron-beam-induced deposition of nanostructures

Spontaneous dissociation of Co2(CO)8 and autocatalytic growth of Co on SiO2: A combined experimental and theoretical investigation

Dynamics and fragmentation mechanism of (C₅H₄CH₃)Pt(CH₃)₃ on SiO₂ surfaces

Spontaneous dissociation of Co₂(CO)₈ and autocatalytic growth of Co on SiO₂: A combined experimental and theoretical investigation