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Ángel Morales-García
Ángel Morales-García
Universitat de Barcelona & IQTCUB (ORCID: 0000-0003-0491-1234)
Bestätigte E-Mail-Adresse bei ub.edu - Startseite
Titel
Zitiert von
Zitiert von
Jahr
MXenes: New Horizons in Catalysis
Á Morales-García, F Calle-Vallejo, F Illas
ACS Catalysis 10, 13487–13503, 2020
3442020
DFT+ U calculations of crystal lattice, electronic structure, and phase stability under pressure of TiO2 polymorphs
ME Arroyo-de Dompablo, A Morales-García, M Taravillo
The Journal of Chemical Physics 135 (5), 054503, 2011
3102011
An Empirical, Yet Practical Way to Predict the Band Gap in Solids by Using Density Functional Band Structure Calculations
Á Morales-García, R Valero, F Illas
The Journal of Physical Chemistry C 121, 18862–18866, 2017
2652017
CO 2 abatement using two-dimensional MXene carbides
Á Morales-García, A Fernández-Fernández, F Viñes, F Illas
Journal of Materials Chemistry A 6 (8), 3381-3385, 2018
1952018
Two-dimensional Janus MXenes: High-temperature Spin-polarized Semiconductor with Zero Magnetization
J He, P Lyu, L Sun, A Morales-Garcia, P Nachtigall
Journal of Materials Chemistry C 4, 6500-6509, 2016
156*2016
First-Principles Calculations and Electron Density Topological Analysis of Covellite (CuS)
Á Morales García, AL Soares, EC Dos Santos, HA De Abreu, HA Duarte
The Journal of Physical Chemistry A 118 (31), 5823–5831, 2014
1552014
MXenes as promising catalysts for water dissociation
JD Gouveia, A Morales-García, F Viñes, F Illas, JRB Gomes
Applied Catalysis B: Environmental 260, 118191, 2020
1352020
Challenges of modeling nanostructured materials for photocatalytic water splitting
L Samanta, Á Morales-García, F Illas, N Goga, JA Anta, S Calero, ...
Chemical Society Reviews 51, 3794-3818, 2022
1132022
Single layer molybdenum disulfide under direct out-of-plane compression: low-stress band-gap engineering
M Pena-Alvarez, E del Corro, A Morales-Garcia, L Kavan, M Kalbac, ...
Nano letters 15 (5), 3139-3146, 2015
992015
Facile Heterogeneously Catalyzed Nitrogen Fixation by MXenes
JD Gouveia, A Morales-García, F Viñes, JRB Gomes, F Illas
ACS Catalysis 10, 5049-5056, 2020
952020
Thickness Biased Capture of CO2 on Carbide MXenes
Á Morales-García, M Mayans, F Viñes, F Illas
Physical Chemistry Chemical Physics 21, 23136-23142, 2019
722019
Two-Dimensional Nitrides as Highly Efficient Potential Candidates for CO2 Capture and Activation
R Morales-Salvador, A Morales-García, F Viñes, F Illas
Physical Chemistry Chemical Physics 20, 17117-17124, 2018
702018
Taking steps forward in undertanding the electrochemical behavior of Na2Ti3O7
J Nava-Avendaño, A Morales-Garcia, A Ponrouch, G Rousse, C Frontera, ...
Journal of Materials Chemistry A 3, 22280-22286, 2015
672015
Carbon Capture and Usage by MXenes
R Morales-Salvador, JD Gouveia, Á Morales-García, F Viñes, JRB Gomes, ...
ACS Catalysis 11, 11248-11255, 2021
632021
Interaction of First Row Transition Metals with M2C (M=Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W) MXenes: A Quest for Single-Atom Catalysts
H Oschinski, Á Morales-García, F Illas
The Journal of Physical Chemistry C 125, 2477-2484, 2021
622021
Effect of intrinsic point defects on the catalytic and electronic properties of Cu 2 WS 4 single-layer: Ab initio calculations
T Ouahrani, RM Boufatah, M Benaissa, Á Morales-García, M Badawi, ...
Physical Review Materials 7, 025403 (1-11), 2023
612023
Understanding the Interplay between Size, Morphology and Energy Gap in Photoactive TiO2 Nanoparticles
Á Morales-García, A Macià, F Illas, ST Bromley
Nanoscale 11, 9032-9041, 2019
592019
Understanding the Nature and Location of Hydroxyl Groups on Hydrated Titania Nanoparticles
L Mino, Á Morales-García, ST Bromley, F Illas
Nanoscale 13, 6577-6585, 2021
502021
Surfaces and Morphologies of Covellite (CuS) Nanoparticles by means of ab initio Atomistic Thermodynamics
Á Morales-García, H Junjie, A Lenito-Soares, HA Duarte
CrystEngComm 19, 3078-3084, 2017
472017
Concepts, models and methods in computational heterogeneous catalysis illustrated through CO2 conversion
Á Morales-García, F Viñes, J R. B. Gomes, F Illas
WIREs Computational Molecular Science 11 (4), e1530, 2021
442021
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