Descrição
Adsorção
Catálise heterogénea
Reacção(ões) em superfície(s)
Teoria dos funcionais da densidade
Coordenador
Coordenação
Universidade de Aveiro (UA)
Participantes
Instituto de Ciências e Tecnologias Agrárias e Agro-Alimentares - Porto (ICETA-Porto/UP)
link
https://www.fct.pt/apoios/projectos/consulta/vglobal_projecto?idProjecto=117439&idElemConcurso=4144
Resultados
Fischer-Tropsch Synthesis on Multicomponent Catalysts: What Can We Learn from Computer Simulations?
Fajin, JLC; Cordeiro, MNDS; Gomes, JRBDensity Functional Theory Study of the Water Dissociation on Platinum Surfaces: General Trends
Fajin, JLC; Cordeiro, MNDS; Gomes, JRBGeneralized Bronsted-Evans-Polanyi relationships and descriptors for O-H bond cleavage of organic molecules on transition metal surfaces
Fajin, JLC; Cordeiro, MNDS; Illas, F; Gomes, JRBUnderstanding the reactivity of metallic nanoparticles: beyond the extended surface model for catalysis
Vines, F; Gomes, JRB; Illas, FA DFT study of the NO dissociation on gold surfaces doped with transition metals
Fajin, JLC; Cordeiro, MNDS; Gomes, JRBDFT study on the reaction of O-2 dissociation catalyzed by gold surfaces doped with transition metal atoms
Fajin, JLC; Cordeiro, MNDS; Gomes, JRBDensity functional theory model study of size and structure effects on water dissociation by platinum nanoparticles
Fajin, JLC; Bruix, A; Cordeiro, MNDS; Gomes, JRB; Illas, FWater Dissociation on Bimetallic Surfaces: General Trends
Fajin, JLC; Cordeiro, MNDS; Gomes, JRBFinanciadores
