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Alfredo Pasquarello

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Alfredo Pasquarello

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Unraveling the synergy between metal-organic frameworks and co-catalysts in photocatalytic water splitting

Accurate optical spectra through time-dependent density functional theory based on screening-dependent hybrid functionals

Band alignment at the CaF2/Si(111) interface through advanced electronic structure calculations

Evaluation of Photocatalysts for Water Splitting through Combined Analysis of Surface Coverage and Energy-Level Alignment

On the Electronic and Optical Properties of Metal-Organic Frameworks: Case Study of MIL-125 and MIL-125-NH2

Hydrogen Bonding of Ammonia with (H,OH)-Si(001) Revealed by Experimental and Ab Initio Photoelectron Spectroscopy

Finite-size corrections of defect energy levels involving ionic polarization

Small Electron Polarons in CsPbBr3: Competition between Electron Localization and Delocalization