PH-Dependent Catalytic Reaction Pathway for Water Splitting at the BiVO4-Water Interface from the Band Alignment
2018-01-01 Ambrosio, F.; Wiktor, J.; Pasquarello, A.
Comprehensive modeling of the band gap and absorption spectrum of BiVO4
2017-01-01 Wiktor, J.; Reshetnyak, I.; Ambrosio, F.; Pasquarello, A.
Oxygen defects in amorphous Al2O3: A hybrid functional study
2016-01-01 Guo, Z.; Ambrosio, F.; Pasquarello, A.
Structural, Dynamical, and Electronic Properties of Liquid Water: A Hybrid Functional Study
2016-01-01 Ambrosio, F.; Miceli, G.; Pasquarello, A.
On the Electronic and Optical Properties of Metal-Organic Frameworks: Case Study of MIL-125 and MIL-125-NH2
2020-01-01 Capano, G.; Ambrosio, F.; Kampouri, S.; Stylianou, K. C.; Pasquarello, A.; Smit, B.
Extrinsic Defects in Amorphous Oxides: Hydrogen, Carbon, and Nitrogen Impurities in Alumina
2019-01-01 Guo, Z.; Ambrosio, F.; Pasquarello, A.
Singlet fission in linear chains of molecules
2014-01-01 Ambrosio, F.; Troisi, A.
Note: Assessment of the SCAN+rVV10 functional for the structure of liquid water
2017-01-01 Wiktor, J.; Ambrosio, F.; Pasquarello, A.
Water-Stable DMASnBr3 Lead-Free Perovskite for Effective Solar-Driven Photocatalysis
2021-01-01 Romani, L.; Speltini, A.; Ambrosio, F.; Mosconi, E.; Profumo, A.; Marelli, M.; Margadonna, S.; Milella, A.; Fracassi, F.; Listorti, A.; De Angelis, F.; Malavasi, L.
Effect of the anchoring group on electron injection: Theoretical study of phosphonated dyes for dye-sensitized solar cells
2012-01-01 Ambrosio, F.; Martsinovich, N.; Troisi, A.
Effect of the Solvent on the Oxygen Evolution Reaction at the TiO2-Water Interface
2019-01-01 Gono, P.; Ambrosio, F.; Pasquarello, A.
Origin of low electron-hole recombination rate in metal halide perovskites
2018-01-01 Ambrosio, F.; Wiktor, J.; De Angelis, F.; Pasquarello, A.
Strong Hole Trapping Due to Oxygen Dimers in BiVO4: Effect on the Water Oxidation Reaction
2019-01-01 Ambrosio, F.; Wiktor, J.
Electronic Levels of Excess Electrons in Liquid Water
2017-01-01 Ambrosio, F.; Miceli, G.; Pasquarello, A.
Picture of the wet electron: A localized transient state in liquid water
2019-01-01 Pizzochero, M.; Ambrosio, F.; Pasquarello, A.
From peptides to small molecules: An intriguing but intricated way to new drugs
2013-01-01 Scognamiglio, P. L.; Di Natale, C.; Perretta, G.; Marasco, D.
Combined computational and experimental investigation on the nature of hydrated iodoplumbate complexes: Insights into the dual role of water in perovskite precursor solutions
2020-01-01 Radicchi, E.; Ambrosio, F.; Mosconi, E.; Alasmari, A. A.; Alasmary, F. A. S.; de Angelis, F.
Discovery of Small Peptide Antagonists of PED/PEA15-D4α Interaction from Simplified Combinatorial Libraries
2011-01-01 Scognamiglio, P. L.; Doti, N.; Grieco, P.; Pedone, C.; Ruvo, M.; Marasco, D.
Integration of binding peptide selection and multifunctional particles as tool-box for capture of soluble proteins in serum
2014-01-01 Cusano, A. M.; Causa, F.; Moglie, R. D.; Falco, N.; Scognamiglio, P. L.; Aliberti, A.; Vecchione, R.; Battista, E.; Marasco, D.; Savarese, M.; Raucci, U.; Rega, N.; Netti, P. A.
Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water
2019-01-01 Hormann, N. G.; Guo, Z.; Ambrosio, F.; Andreussi, O.; Pasquarello, A.; Marzari, N.
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