Ab initio investigation of the role of the d-states occupation on the adsorption properties of H 2, CO, CH 4 and CH 3 OH on the Fe 13, Co 13, Ni 13 and Cu 13 clusters P Felício-Sousa, KF Andriani, JLF Da Silva Physical Chemistry Chemical Physics 23 (14), 8739-8751, 2021 | 21 | 2021 |
Ab initio insights into the structural, energetic, electronic, and stability properties of mixed Ce n Zr 15− n O 30 nanoclusters P Felício-Sousa, J Mucelini, L Zibordi-Besse, KF Andriani, Y Seminovski, ... Physical Chemistry Chemical Physics 21 (48), 26637-26646, 2019 | 11 | 2019 |
Role of quantum-size effects in the dehydrogenation of CH 4 on 3d TM n clusters: DFT calculations combined with data mining KF Andriani, P Felício-Sousa, FO Morais, JLF Da Silva Catalysis Science & Technology 12 (3), 916-926, 2022 | 5 | 2022 |
Estudos ab initio das propriedades estruturais, energéticas e eletrônicas de clusters de óxidos mistos de Ce15-nZrnO30,(n= 0-15) PF Sousa Universidade de São Paulo, 2017 | | 2017 |
First-Principles Investigation of the Physicochemical Properties and Stability of PtS2 Clusters LS Dalacqua, NAMS Caturello, P Felício-Sousa, JLF Da Silva Center for Innovation on New Energies, 34, 0 | | |