Publicaciones en colaboración con investigadores/as de Italian Institute of Technology (16)

2024

  1. Enhancing Single-Layer WSe2 Light Emission in Perylene-Doped Polymer Films through Efficient Energy Transfer

    Advanced Functional Materials

2022

  1. Ultrasmall, Coating-Free, Pyramidal Platinum Nanoparticles for High Stability Fuel Cell Oxygen Reduction

    ACS Applied Materials and Interfaces, Vol. 14, Núm. 32, pp. 36570-36581

2021

  1. Near-Infrared Lasing in Four-Zigzag Edged Nanographenes by 1D versus 2D Electronic π-Conjugation

    Advanced Functional Materials, Vol. 31, Núm. 41

2018

  1. Citrate-Coated, Size-Tunable Octahedral Platinum Nanocrystals: A Novel Route for Advanced Electrocatalysts

    ACS Applied Materials and Interfaces, Vol. 10, Núm. 48, pp. 41608-41617

  2. Range-Separated Double-Hybrid Functional from Nonempirical Constraints

    Journal of Chemical Theory and Computation, Vol. 14, Núm. 8, pp. 4052-4062

2017

  1. Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionals

    Journal of Computational Chemistry, Vol. 38, Núm. 17, pp. 1509-1514

  2. Partnering dispersion corrections with modern parameter-free double-hybrid density functionals

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 21, pp. 13481-13487

  3. Speed-Up of the Excited-State Benchmarking: Double-Hybrid Density Functionals as Test Cases

    Journal of Chemical Theory and Computation, Vol. 13, Núm. 11, pp. 5539-5551

2016

  1. Benchmarking Density Functionals on Structural Parameters of Small-/Medium-Sized Organic Molecules

    Journal of Chemical Theory and Computation, Vol. 12, Núm. 2, pp. 459-465

  2. Describing excited states of [n]cycloparaphenylenes by hybrid and double-hybrid density functionals: from isolated to weakly interacting molecules

    Theoretical Chemistry Accounts, Vol. 135, Núm. 1, pp. 1-12

  3. Importance of Orbital Optimization for Double-Hybrid Density Functionals: Application of the OO-PBE-QIDH Model for Closed- and Open-Shell Systems

    Journal of Physical Chemistry A, Vol. 120, Núm. 10, pp. 1756-1762

  4. Nonempirical Double-Hybrid Functionals: An Effective Tool for Chemists

    Accounts of Chemical Research, Vol. 49, Núm. 8, pp. 1503-1513

  5. Quadratic integrand double-hybrid made spin-component-scaled

    Journal of Chemical Physics, Vol. 144, Núm. 12

2015

  1. Systematic Improvement of Density Functionals through Parameter-Free Hybridization Schemes

    Journal of Physical Chemistry Letters, Vol. 6, Núm. 18, pp. 3540-3545

  2. The diene isomerization energies dataset: A difficult test for double-hybrid density functionals?

    Journal of Chemical Physics, Vol. 142, Núm. 22

2014

  1. Non-parametrized functionals with empirical dispersion corrections: A happy match?

    Theoretical Chemistry Accounts, Vol. 134, Núm. 1