University of Reading-ko ikertzaileekin lankidetzan egindako argitalpenak (9)

2022

  1. Spinel nitride solid solutions: charting properties in the configurational space with explainable machine learning†

    Digital Discovery, Vol. 1, Núm. 5, pp. 665-678

2021

  1. Bandgap Engineering in the Configurational Space of Solid Solutions via Machine Learning: (Mg,Zn)O Case Study

    Journal of Physical Chemistry Letters, Vol. 12, pp. 5163-5168

  2. Engineering the electronic and optical properties of 2D porphyrin-paddlewheel metal-organic frameworks

    JPhys Energy, Vol. 3, Núm. 3

2018

  1. Screening heteroatom distributions in zeotype materials using an effective Hamiltonian approach: The case of aluminogermanate PKU-9

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 26, pp. 18047-18055

2017

  1. Porphyrin-based metal-organic frameworks for solar fuel synthesis photocatalysis: Band gap tuning: Via iron substitutions

    Journal of Materials Chemistry A, Vol. 5, Núm. 23, pp. 11894-11904

2016

  1. Critical Role of Dynamic Flexibility in Ge-Containing Zeolites: Impact on Diffusion

    Chemistry - A European Journal, Vol. 22, Núm. 29, pp. 10036-10043

  2. Frontispiece: Modelling a Linker Mix-and-Match Approach for Controlling the Optical Excitation Gaps and Band Alignment of Zeolitic Imidazolate Frameworks

    Angewandte Chemie - International Edition

  3. Modelling a Linker Mix-and-Match Approach for Controlling the Optical Excitation Gaps and Band Alignment of Zeolitic Imidazolate Frameworks

    Angewandte Chemie - International Edition, Vol. 55, Núm. 52, pp. 16012-16016

2015

  1. Electronic structure of porphyrin-based metal-organic frameworks and their suitability for solar fuel production photocatalysis

    Journal of Materials Chemistry A, Vol. 3, Núm. 46, pp. 23458-23465