Ángel Rabdel Ruiz Salvador-rekin lankidetzan egindako argitalpenak (16)
2022
-
Thermostructural Characterization of Silicon Carbide Nanocomposite Materials via Molecular Dynamics Simulations
Advanced Composite Materials, Vol. 31, Núm. 5, pp. 485-504
-
Understanding the stability and structural properties of ordered nanoporous metals towards their rational synthesis
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 478, Núm. 2266
2018
-
Fitting electron density as a physically sound basis for the development of interatomic potentials of complex alloys
Physical Chemistry Chemical Physics, Vol. 20, Núm. 27, pp. 18647-18656
-
The Si-Ge substitutional series in the chiral STW zeolite structure type
Journal of Materials Chemistry A, Vol. 6, Núm. 31, pp. 15110-15122
2017
-
Importance of Blocking Inaccessible Voids on Modeling Zeolite Adsorption: Revisited
Journal of Physical Chemistry C, Vol. 121, Núm. 8, pp. 4462-4470
-
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
-
Selective sulfur dioxide adsorption on crystal defect sites on an isoreticular metal organic framework series
Nature Communications, Vol. 8
-
Tuning the separation properties of zeolitic imidazolate framework core-shell structures: Via post-synthetic modification
Journal of Materials Chemistry A, Vol. 5, Núm. 48, pp. 25601-25608
2016
-
Controlling thermal expansion: A metal-organic frameworks route
Chemistry of Materials, Vol. 28, Núm. 22, pp. 8296-8304
-
Critical Role of Dynamic Flexibility in Ge-Containing Zeolites: Impact on Diffusion
Chemistry - A European Journal, Vol. 22, Núm. 29, pp. 10036-10043
-
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
-
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
-
Atomic charges for modeling metal-organic frameworks: Why and how
Journal of Solid State Chemistry, Vol. 223, pp. 144-151
-
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
-
Thermostructural behaviour of Ni-Cr materials: Modelling of bulk and nanoparticle systems
Physical Chemistry Chemical Physics, Vol. 17, Núm. 24, pp. 15912-15920
-
Understanding Nanopore Window Distortions in the Reversible Molecular Valve Zeolite RHO
Chemistry of Materials, Vol. 27, Núm. 16, pp. 5657-5667