![Foto de CRISTINA](/img/nophoto.png)
CRISTINA
DÍAZ BLANCO
Profesora titular de universidad
Publicaciones (85) Publicaciones de CRISTINA DÍAZ BLANCO
2024
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Optoelectronic properties of electron-acceptor molecules adsorbed on graphene/silicon carbide interfaces
Communications Materials, Vol. 5, Núm. 1
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Semiquantum versus quantum methods for grazing-incidence fast-atom diffraction: Influence of the wave-packet size
Physical Review A, Vol. 109, Núm. 4
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Tailoring single-molecule conductance with structured graphene electrodes
Applied Surface Science, Vol. 646
2022
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A simple model to engineer single-molecule conductance of acenes by chemical disubstitution
Nanoscale, Vol. 14, Núm. 2, pp. 464-472
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Engineering the HOMO-LUMO gap of indeno[1,2-b]fluorene
Journal of Materials Chemistry C, Vol. 10, Núm. 32, pp. 11775-11782
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Graphene grown on transition metal substrates: Versatile templates for organic molecules with new properties and structures
Surface Science Reports, Vol. 77, Núm. 4
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Grazing incidence fast atom and molecule diffraction: theoretical challenges
Physical Chemistry Chemical Physics
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Self-energy corrected DFT-NEGF for conductance in molecular junctions: an accurate and efficient implementation for TRANSIESTA package applied to Au electrodes
Journal of Physics Condensed Matter, Vol. 34, Núm. 43
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Stereodynamics effects in grazing-incidence fast-molecule diffraction
Physical Chemistry Chemical Physics, Vol. 24, Núm. 32, pp. 19541-19551
2021
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Efficient photogeneration of nonacene on nanostructured graphene
Nanoscale Horizons, Vol. 6, Núm. 9, pp. 744-750
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Evaluation of the role of graphene-based Cu(i) catalysts in borylation reactions
Catalysis Science and Technology, Vol. 11, Núm. 10, pp. 3501-3513
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Normal and off-normal incidence dissociative dynamics of O2(v,J) on ultrathin Cu films grown on Ru(0001)
Physical Chemistry Chemical Physics, Vol. 23, Núm. 13, pp. 7768-7776
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Single-Molecule Conductance of 1,4-Azaborine Derivatives as Models of BN-doped PAHs
Angewandte Chemie - International Edition, Vol. 60, Núm. 12, pp. 6609-6616
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Theoretical study of structural and electronic properties of 2H-phase transition metal dichalcogenides
Physical Review B, Vol. 103, Núm. 19
2020
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Accurate simulations of atomic diffractive scattering from KCl(0 0 1) under fast grazing incidence conditions
Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, Vol. 476, pp. 1-9
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Defect formation in a graphene overlayer on ruthenium under high pressure
Physical Review B, Vol. 102, Núm. 7
2019
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Nonadiabatic scattering of NO off Au3 clusters: A simple and robust diabatic state manifold generation method for multiconfigurational wavefunctions
Journal of Computational Chemistry, Vol. 40, Núm. 6, pp. 794-810
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Performance of van der Waals DFT approaches for helium diffraction on metal surfaces
Journal of Physics Condensed Matter, Vol. 31, Núm. 13
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Prominent out-of-plane diffraction in helium scattering from a methyl-terminated Si(111) surface
Physical Chemistry Chemical Physics, Vol. 21, Núm. 28, pp. 15879-15887
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Quantum Stereodynamics of H2 Scattering from Co(0001): Influence of Reaction Channels
Journal of Physical Chemistry C, Vol. 123, Núm. 26, pp. 16223-16231