Publicaciones (72) Publicaciones de GREGORIO JOSE GARCIA MORENO

2024

  1. Color modulation in organometallic dyes. Purple-colored acyclic carbenes derived from 2-isocyanoazulene gold(I) complexes

    Dyes and Pigments, Vol. 226

2023

  1. Modulating Organic/Inorganic Segregation in Columnar Mesophases

    Crystal Growth and Design, Vol. 23, Núm. 9, pp. 6812-6821

  2. Synthesis and Electronic Structure of Mid-Infrared Absorbing Cu3SbSe4 and CuxSbSe4 Nanocrystals

    Chemistry of Materials, Vol. 35, Núm. 16, pp. 6323-6331

2022

  1. Cation substitution effects on the structural, electronic and sun-light absorption features of all-inorganic halide perovskites

    Inorganic Chemistry Frontiers, Vol. 9, Núm. 7, pp. 1337-1353

2021

  1. The effects of the chemical composition on the structural, thermodynamic, and mechanical properties of all-inorganic halide perovskites

    Inorganic Chemistry Frontiers, Vol. 8, Núm. 16, pp. 3803-3814

2020

  1. Band Alignment of the CuGaS2 Chalcopyrite Interfaces Studied by First-Principles Calculations

    ACS Omega, Vol. 5, Núm. 7, pp. 3294-3301

  2. Spinel-Type nitride compounds with improved features as solar cell absorbers

    Acta Materialia, Vol. 197, pp. 316-329

  3. Transition metal-hyperdoped InP semiconductors as efficient solar absorber materials

    Nanomaterials, Vol. 10, Núm. 2

2019

  1. Thermoradiative Cells Based on a p-type Cu3SbSe4 Semiconductor: Application of a Detailed Balance Model

    Journal of Electronic Materials, Vol. 48, Núm. 10, pp. 6777-6785

2018

  1. Erratum: Author Correction: Influence of chromium hyperdoping on the electronic structure of CH3NH3PbI3 perovskite: a first-principles insight (Scientific reports (2018) 8 1 (2511))

    Scientific reports

  2. Influence of chromium hyperdoping on the electronic structure of CH3NH3PbI3 perovskite: A first-principles insight

    Scientific Reports, Vol. 8, Núm. 1

  3. Thermoelectric Properties of Doped-Cu3SbSe4 Compounds: A First-Principles Insight

    Inorganic Chemistry, Vol. 57, Núm. 12, pp. 7321-7333

2017

  1. Investigation of the performance of biocompatible gas hydrate inhibitors via combined experimental and DFT methods

    Journal of Chemical Thermodynamics, Vol. 111, pp. 7-19

  2. Simultaneous CO2 and SO2 capture by using ionic liquids: A theoretical approach

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 7, pp. 5411-5422

  3. Solution-based synthesis and processing of Sn- and Bi-doped Cu3SbSe4 nanocrystals, nanomaterials and ring-shaped thermoelectric generators

    Journal of Materials Chemistry A, Vol. 5, Núm. 6, pp. 2592-2602

  4. Vanadium supersaturated silicon system: a theoretical and experimental approach

    Journal of Physics D: Applied Physics, Vol. 50, Núm. 49

2016

  1. Interfacial properties of 1-ethyl-3-methylimidazolium glycinate ionic liquid regarding CO 2 , SO 2 and water from molecular dynamics

    Journal of Molecular Liquids, Vol. 220, pp. 910-917

  2. A molecular dynamics study on aminoacid-based ionic liquids

    Journal of Molecular Liquids, Vol. 213, pp. 201-212

  3. DFT study of the effect of fluorine atoms on the crystal structure and semiconducting properties of poly(arylene-ethynylene) derivatives

    Journal of Chemical Physics, Vol. 144, Núm. 15

  4. Effect of five-membered ring and heteroatom substitution on charge transport properties of perylene discotic derivatives: A theoretical approach

    Journal of Chemical Physics, Vol. 145, Núm. 5