Ángel Morales-García
Ángel Morales-García
Universitat de Barcelona & IQTCUB (ORCID: 0000-0003-0491-1234)
Verified email at ub.edu - Homepage
Title
Cited by
Cited by
Year
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
1922011
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
1092017
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
852014
CO 2 abatement by two-dimensional MXene carbides
A Morales-Garcia, A Fernández-Fernández, F Viñes, F Illas
Journal of Materials Chemistry A 6, 3381-3385, 2018
732018
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
732015
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
63*2016
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
392015
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
272020
The influence of water on the performance of molybdenum carbide catalysts in HDO reactions- A combined theoretical and experimental study
J Engelhardt, P Lyu, P Nachtigall, F Schüth, A Morales-García
ChemCatChem 9, 1985–1991, 2017
27*2017
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
262018
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
252017
Pbca-Type In2O3: The High-Pressure Post-Corundum Phase at Room Temperature
B Garcia-Domene, JA Sans, O Gomis, FJ Manjon, HM Ortiz, ...
The Journal of Physical Chemistry C 118 (35), 20545-20552, 2014
242014
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
232019
MXenes: New Horizons in Catalysis
Á Morales-García, F Calle-Vallejo, F Illas
ACS Catalysis 10, 13487–13503, 2020
212020
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
212019
Facile Heterogeneously Catalyzed Nitrogen Fixation by MXenes
JD Gouveia, A Morales-García, F Viñes, JRB Gomes, F Illas
ACS Catalysis 10, 5049-5056, 2020
202020
Performance of the G0W0 Method in Predicting the Electronic Gap of TiO2 Nanoparticles
A Morales-García, R Valero, F Illas
Journal of Chemical Theory and Computation 13, 3746–3753, 2017
182017
Properties of Single Oxygen Vacancies on a Realistic (TiO2) 84 Nanoparticle: A Challenge for Density Functionals
Á Morales-García, O Lamiel-García, R Valero, F Illas
The Journal of Physical Chemistry C 122, 2413–2421, 2018
172018
Structural Phase Transitions on AgCuS Stromeyerite Mineral under Compression
D Santamaria-Perez, A Morales-Garcia, D Martinez-Garcia, ...
Inorganic chemistry 52, 355-361, 2012
162012
Two-dimensional crystal CuS—electronic and structural properties
AL Soares Jr, EC Dos Santos, A Morales-García, T Heine, HA De Abreu, ...
2D Materials 4 (1), 015041, 2017
152017
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