Ángel Morales-García

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Francesc IllasDepartament de Ciència de Materials i Química Fisica & IQTCUB, Universitat de BarcelonaVerifierad e-postadress på ub.edu
Francesc ViñesUniversity of BarcelonaVerifierad e-postadress på ub.edu
José R. B. GomesCICECO-Aveiro Institute of Materials, Department of Chemistry, University of AveiroVerifierad e-postadress på ua.pt
Petr NachtigallProfessor of Physical Chemistry, Charles UniversityVerifierad e-postadress på natur.cuni.cz
Stefan T. BromleyICREA Research ProfessorVerifierad e-postadress på ub.edu
Jose D. GouveiaUniversity of AveiroVerifierad e-postadress på ua.pt
Otakar FrankHead of the Department of electrochemical materials, J.Heyrovsky Institute of Physical ChemistryVerifierad e-postadress på jh-inst.cas.cz
"Helio Anderson Duarte" OU "Helio A....Department of Chemistry, Universidade Federal de Minas GeraisVerifierad e-postadress på ufmg.br
MARIA ELENA ARROYO DE DOMPA...Departamento de Química Inorgánica, UCMVerifierad e-postadress på ucm.es
Michael BadawiUniversité de LorraineVerifierad e-postadress på univ-lorraine.fr
Junjie HEassistant professor, Charles University, Prague, CZVerifierad e-postadress på natur.cuni.cz
Pengbo Lyu (吕蓬勃)Associate Professor, XTU-Xiangtan，previously worked in CNRS-Montpellier and studied in CUNI-PragueVerifierad e-postadress på xtu.edu.cn
Martin Kalbacprofessor, J. Heyrovsky institute of physical chemistryVerifierad e-postadress på jh-inst.cas.cz
Néstor García-RomeralPhD stundent, Universitat de Barcelona & IQTCUBVerifierad e-postadress på ub.edu
j. m. reciouniversidad de oviedoVerifierad e-postadress på uniovi.es
Reda M. BoufatahAssociate ProfessorVerifierad e-postadress på univ-tlemcen.dz
Heitor Avelino de AbreuProfessor of Chemistry, Universidade Federal de Minas GeraisVerifierad e-postadress på ufmg.br
Egon Campos dos SantosAssistant Professor, Tohoku UniversityVerifierad e-postadress på tohoku.ac.jp
DAVID SANTAMARIA PEREZICMUV, Universidad de ValenciaVerifierad e-postadress på uv.es
Miriam peña alvarezUniversity of EdinburghVerifierad e-postadress på ucm.es

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Ángel Morales-García

Universitat de Barcelona & IQTCUB (ORCID: 0000-0003-0491-1234)

Verifierad e-postadress på ub.edu - Startsida

DFT GW scheme Nanoparticles MXenes Photocatalysis


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
MXenes: New Horizons in Catalysis Á Morales-García, F Calle-Vallejo, F Illas ACS Catalysis 10, 13487–13503, 2020	343	2020
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	307	2011
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	259	2017
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	196	2018
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	155	2014
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	149*	2016
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	134	2020
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	111	2022
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	97	2015
Facile Heterogeneously Catalyzed Nitrogen Fixation by MXenes JD Gouveia, A Morales-García, F Viñes, JRB Gomes, F Illas ACS Catalysis 10, 5049-5056, 2020	94	2020
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	73	2019
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	70	2018
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	67	2015
Carbon Capture and Usage by MXenes R Morales-Salvador, JD Gouveia, Á Morales-García, F Viñes, JRB Gomes, ... ACS Catalysis 11, 11248-11255, 2021	63	2021
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	62	2021
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	60	2023
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	60	2019
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	49	2021
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	47	2017
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	44	2021

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