TY  - JOUR 
AU  - Valdés, Haydée
AU  - Molina Martín, Luis Miguel
AU  - Alonso Martín, Julio Alfonso
PY  - 2019
SN  - 0169-4332
UR  - http://uvadoc.uva.es/handle/10324/36048
AB  - The presence of water can strongly a ect the reactivity of gold catalysts. For this
reason, ab initio density functional simulations have been performed to study
the adsorption and dissociation of water on the anatase-TiO2(101) surface, both
clean...
LA  - eng
PB  - Elsevier
KW  - Density functional theory
KW  - Teoría del funcional de densidad
KW  - Gold catalysis
KW  - Catálisis del oro
KW  - Titanium dioxide (TiO2)
KW  - Dióxido de titanio (TiO2)
KW  - Water
KW  - Agua
KW  - Reaction intermediates
KW  - Intermedio de reacción
TI  - Water adsorption and dissociation on gold catalysts supported on anatase-TiO2(101)
DO  - https://doi.org/10.1016/j.apsusc.2019.04.249
ER  -