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Eduardo Schiavo
Eduardo Schiavo
Verifierad e-postadress på kofo.mpg.de
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Tuning optical and electronic properties in novel carbazole photosensitizers for p-type dye-sensitized solar cells
A Carella, R Centore, F Borbone, M Toscanesi, M Trifuoggi, F Bella, ...
Electrochimica Acta 292, 805-816, 2018
692018
Role of surface defects in CO2 adsorption and activation on CuFeO2 delafossite oxide
C Baiano, E Schiavo, C Gerbaldi, F Bella, G Meligrana, G Talarico, ...
Molecular Catalysis 496, 111181, 2020
542020
An ab initio study of Cu-based delafossites as an alternative to nickel oxide in photocathodes: effects of Mg-doping and surface electronic features
E Schiavo, C Latouche, V Barone, O Crescenzi, AB Muñoz-García, ...
Physical Chemistry Chemical Physics 20 (20), 14082-14089, 2018
322018
Ab initio Study of Anchoring Groups for CuGaO2 Delafossite-Based p-Type Dye Sensitized Solar Cells
AB Muñoz-García, L Caputo, E Schiavo, C Baiano, P Maddalena, ...
Frontiers in Chemistry 7, 158, 2019
192019
Tuning dispersion correction in DFT-D2 for metal-molecule interactions: A tailored reparameterization strategy for the adsorption of aromatic systems on Ag (1 1 1)
E Schiavo, AB Muñoz-García, V Barone, A Vittadini, M Casarin, D Forrer, ...
Chemical Physics Letters 693, 28-33, 2018
182018
Structural and electronic properties of defective 2D transition metal dichalcogenide heterostructures
A Pecoraro, E Schiavo, P Maddalena, AB Muñoz‐García, M Pavone
Journal of Computational Chemistry 41 (22), 1946-1955, 2020
112020
Are Heavy Pnictogen-π Interactions Really" π Interactions"?
E Schiavo, K Bhattacharyya, M Mehring, AA Auer
Chemistry (Weinheim an der Bergstrasse, Germany), 2021
52021
Tuning perovskite–based oxides for effective electrodes in solid oxide electrochemical cells
AB Muñoz-García, A Massaro, E Schiavo, M Pavone
Solid Oxide-Based Electrochemical Devices, 1-25, 2020
52020
Comparing London dispersion pnictogen–π interactions in naphthyl-substituted dipnictanes
A Gehlhaar, E Schiavo, C Wölper, Y Schulte, AA Auer, S Schulz
Dalton Transactions 51 (13), 5016-5023, 2022
42022
Doped graphene and Ag (1 1 1) hybrid material as fuel cell electrode: New insights on interfacial features and oxygen adsorption from dispersion-corrected density functional theory
E Schiavo, AB Munoz-Garcia, P Maddalena, O Crescenzi, M Pavone
Computational Materials Science 169, 109141, 2019
22019
Molecular oxygen reactivity at graphene-metal interfaces: New insights from first-principles calculations
M Pavone, E Schiavo, A Munoz-Garcia
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016
2016
FIRST PRINCIPLES STUDIES OF MATERIALS FOR ENERGY CONVERSION AND STORAGE
M Pavone, AB Munoz-Garcıa, E Schiavo
High Performance Computing on CRESCO infrastructure: research activities and …, 2016
2016
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Artiklar 1–12