Publications in collaboration with researchers from Universidad del País Vasco/Euskal Herriko Unibertsitatea (30)

2015

  1. "darker-than-black" PbS quantum dots: Enhancing optical absorption of colloidal semiconductor nanocrystals via short conjugated ligands

    Journal of the American Chemical Society, Vol. 137, Núm. 5, pp. 1875-1886

  2. Density of trap states and Auger-mediated electron trapping in CdTe quantum-dot solids

    Nano Letters, Vol. 15, Núm. 5, pp. 3056-3066

  3. Electronic structure of Ni2E2 complexes (E = S, Se, Te) and a global analysis of M2E2 compounds: A case for quantized E2n - oxidation levels with n = 2, 3, or 4

    Journal of the American Chemical Society, Vol. 137, Núm. 15, pp. 4993-5011

  4. First-Principles Modeling of Core/Shell Quantum Dot Sensitized Solar Cells

    Journal of Physical Chemistry C, Vol. 119, Núm. 22, pp. 12739-12748

  5. Planar pentacoordinate carbons in CBe54- derivatives

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 6, pp. 4620-4624

  6. Quantum chemical calculations and experimental investigations of molecular actinide oxides

    Chemical Reviews, Vol. 115, Núm. 4, pp. 1725-1759

  7. The Electronic Structure of the Al3- Anion: Is it Aromatic?

    Chemistry - A European Journal, Vol. 21, Núm. 27, pp. 9610-9614

  8. The effect of TiO2 surface on the electron injection efficiency in PbS quantum dot solar cells: A first-principles study

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 8, pp. 6076-6086

2014

  1. An "Intermediate Spin" Nickel hydride complex stemming from delocalized Ni2μ-H)2 bonding

    Journal of the American Chemical Society, Vol. 136, Núm. 39, pp. 13538-13541

  2. Benchmark assessment of density functional methods on group II-VI MX (M = Zn, Cd; X = S, Se, Te) quantum dots

    Journal of Chemical Theory and Computation, Vol. 10, Núm. 1, pp. 76-89

  3. Electrochemical control over photoinduced electron transfer and trapping in CdSe-CdTe quantum-dot solids

    ACS Nano, Vol. 8, Núm. 7, pp. 7067-7077

  4. Epitaxially connected PbSe quantum-dot films: Controlled neck formation and optoelectronic properties

    ACS Nano, Vol. 8, Núm. 11, pp. 11499-11511

  5. Quantum dot photoactivation of Pt(IV) anticancer agents: Evidence of an electron transfer mechanism driven by electronic coupling

    Journal of Physical Chemistry C, Vol. 118, Núm. 16, pp. 8712-8721

2013

  1. A DFT/TDDFT study on the optoelectronic properties of the amine-capped magic (CdSe)13 nanocluster

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 26, pp. 10996-11005

  2. Communication: Chemical bonding in carbon dimer isovalent series from the natural orbital functional theory perspective

    Journal of Chemical Physics, Vol. 138, Núm. 15

  3. Electronic spectroscopy and electronic structure of diatomic IrSi

    Journal of Chemical Physics, Vol. 138, Núm. 15

  4. Molecules with high bond orders and ultrashort bond lengths: CrU, MoU, and WU

    Inorganic Chemistry, Vol. 52, Núm. 6, pp. 2838-2843

  5. On the directionality of halogen bonding

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 25, pp. 10350-10357

  6. Theoretic study of the electronic spectra of neutral and cationic PaO and PaO2

    Structural Chemistry, Vol. 24, Núm. 3, pp. 917-925

2012

  1. A first-principles study of II-VI (II = Zn; VI = O, S, Se, Te) semiconductor nanostructures

    Journal of Materials Chemistry, Vol. 22, Núm. 40, pp. 21453-21465