QUÍMICA TEÓRICA Y COMPUTACIONAL DE MATERIALES
QTCMAT
Universitat de Barcelona
Barcelona, EspañaPublicaciones en colaboración con investigadores/as de Universitat de Barcelona (4)
2023
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Electronic and electrocatalytic properties of PbTiO3: unveiling the effect of strain and oxygen vacancy
Dalton Transactions, Vol. 52, Núm. 34, pp. 11965-11980
2021
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Pressure-Driven Metallization in Hafnium Diselenide
Inorganic Chemistry, Vol. 60, Núm. 3, pp. 1746-1754
2018
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Quantum-mechanical simulations of pressure effects on MgIn2S4 polymorphs
Phase Transitions, Vol. 91, Núm. 7, pp. 759-771
2002
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Rigorous characterization of oxygen vacancies in ionic oxides
Physical Review B - Condensed Matter and Materials Physics, Vol. 66, Núm. 7, pp. 751031-751036