Search Results - "Alippi, Paola"
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Deep versus Shallow Behavior of Intrinsic Defects in Rutile and Anatase TiO2 Polymorphs
Published in Journal of physical chemistry. C (16-12-2010)“…The structural and electronic properties of oxygen vacancies (VOx) and titanium interstitials (Ti(i)) in the bulk of the rutile and anatase forms of TiO2 have…”
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2
Interfacial Engineering of P3HT/ZnO Hybrid Solar Cells Using Phthalocyanines: A Joint Theoretical and Experimental Investigation
Published in Advanced energy materials (01-08-2014)“…Atomistic simulations and experimental investigations are combined to study heterojunction interfaces of hybrid polymer solar cells, with the aim to better…”
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3
Bound states of the Fe impurity in wurtzite GaN from hybrid density-functional calculations
Published in Physical review. B, Condensed matter and materials physics (29-07-2011)Get full text
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4
Structural characterization of Ni2Si pseudoepitaxial transrotational structures on [001] Si
Published in Acta crystallographica. Section B, Structural science (01-10-2006)“…The formation of pseudoepitaxial transrotational structures has been observed during the early stage of the reaction of thin Ni layers on [001] Si substrates…”
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5
Oxygen vacancies and OH species in rutile and anatase TiO2 polymorphs
Published in Catalysis today (01-06-2009)Get full text
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6
Role of the indium–carbon interaction on In diffusion and activation in Si
Published in Applied physics letters (08-09-2003)“…We present a theoretical approach to the study of C influence on In diffusion and activation in Si. We consider a kick-out type model for the defect driven…”
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7
Impurity-vacancy complexes and ferromagnetism in doped sesquioxides
Published in Physical review. B, Condensed matter and materials physics (24-04-2014)Get full text
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8
Disclosing the Nature of Asymmetric Interface Magnetism in Co/Pt Multilayers
Published in ACS applied materials & interfaces (16-03-2022)“…Nowadays, a wide number of applications based on magnetic materials rely on the properties arising at the interface between different layers in complex…”
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Coverage-Dependent Modulation of Charge Density at the Interface between Ag(001) and Ruthenium Phthalocyanine
Published in Journal of physical chemistry. C (16-02-2023)“…When an organic film is deposited on a metal surface, charge layers are formed at the interface. These are an important feature of the interface electronic…”
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10
Correction to “Disclosing the Nature of Asymmetric Interface Magnetism in Co/Pt Multilayers”
Published in ACS applied materials & interfaces (25-05-2022)Get full text
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A systematic study of the valence electronic structure of cyclo(Gly-Phe), cyclo(Trp-Tyr) and cyclo(Trp-Trp) dipeptides in the gas phase
Published in Physical chemistry chemical physics : PCCP (08-12-2021)“…The electronic energy levels of cyclo(glycine-phenylalanine), cyclo(tryptophan-tyrosine) and cyclo(tryptophan-tryptophan) dipeptides are investigated with a…”
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12
Impact of the Substrate Work Function on Self-Assembling and Electronic Structure of Adsorbed Ruthenium Phthalocyanine
Published in Journal of physical chemistry. C (22-10-2020)“…We report on a systematic study of bis-ruthenium phthalocyanine, (RuPc)2, layers deposited on Au(111), Ag(111), and graphite. By scanning tunneling microscopy…”
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13
Clusters and magnetic anchoring points in (Ga,Fe)N condensed magnetic semiconductors
Published in Physical review letters (04-11-2011)“…The stability and magnetic properties of Fe clusters in the (Ga,Fe)N magnetic semiconductor is investigated by using first-principles density functional theory…”
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14
Unexpected Rotamerism at the Origin of a Chessboard Supramolecular Assembly of Ruthenium Phthalocyanine
Published in Chemistry : a European journal (16-11-2017)“…We have investigated the formation and the properties of ultrathin films of ruthenium phthalocyanine (RuPc)2 vacuum deposited on graphite by scanning tunneling…”
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15
Zinc Oxide–Zinc Phthalocyanine Interface for Hybrid Solar Cells
Published in Journal of physical chemistry. C (26-07-2012)“…The structural, electronic, and optical properties of a hybrid interface formed by zinc phthalocyanine (ZnPc) molecules adsorbed on the (101̅0) zinc oxide…”
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16
Supramolecular and Chiral Effects at the Titanyl Phthalocyanine/Ag(100) Hybrid Interface
Published in Journal of physical chemistry. C (13-03-2014)“…Nonplanar titanyl phthalocyanine (TiOPc) molecules, characterized by a central, highly dipolar Ti–O group, can offer further degrees of freedom in tailoring…”
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17
Energetics and diffusivity of indium-related defects in silicon
Published in Physical review. B, Condensed matter and materials physics (01-02-2004)Get full text
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18
Deep versus Shallow Behavior of Intrinsic Defects in Rutile and Anatase TiO 2 Polymorphs
Published in Journal of physical chemistry. C (16-12-2010)Get full text
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19
Oxygen vacancies and OH species in rutile and anatase TiO 2 polymorphs
Published in Catalysis today (2009)“…Ab initio density functional calculations in the beyond-LSD (Local Spin Density), LSD + U approximation have been performed to investigate the properties of…”
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20
XAS, XES and DFT simulations to bridge local and macroscopic properties in GaAsN
Published in Acta crystallographica. Section A, Foundations and advances (05-08-2014)“…Abstract only Although it is well known that dilute species often significantly modify the properties of solids in which they are hosted, a basic question…”
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