IRIS - Res&Arch Institutional Research Information System - Research & Archive

DE ANGELIS, Filippo
 Distribuzione geografica
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Continente #
NA - Nord America 5.993
EU - Europa 3.771
AS - Asia 1.160
SA - Sud America 17
OC - Oceania 8
Continente sconosciuto - Info sul continente non disponibili 6
AF - Africa 5
Totale 10.960
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Nazione #
US - Stati Uniti d'America 5.923
IE - Irlanda 1.554
IT - Italia 801
HK - Hong Kong 435
CN - Cina 337
RU - Federazione Russa 297
UA - Ucraina 290
VN - Vietnam 224
DE - Germania 175
SE - Svezia 161
GB - Regno Unito 149
FI - Finlandia 101
CA - Canada 68
FR - Francia 61
CH - Svizzera 36
IN - India 34
NL - Olanda 33
AT - Austria 30
UZ - Uzbekistan 25
PL - Polonia 24
KR - Corea 23
GR - Grecia 20
BE - Belgio 18
TR - Turchia 17
SG - Singapore 15
JP - Giappone 13
LB - Libano 13
BR - Brasile 12
CZ - Repubblica Ceca 11
AU - Australia 8
EU - Europa 6
PK - Pakistan 6
SA - Arabia Saudita 4
TH - Thailandia 4
ID - Indonesia 3
RS - Serbia 3
AE - Emirati Arabi Uniti 2
BG - Bulgaria 2
CI - Costa d'Avorio 2
DZ - Algeria 2
EC - Ecuador 2
MX - Messico 2
QA - Qatar 2
TW - Taiwan 2
CL - Cile 1
CO - Colombia 1
EE - Estonia 1
ES - Italia 1
IL - Israele 1
LV - Lettonia 1
MT - Malta 1
NG - Nigeria 1
PT - Portogallo 1
VE - Venezuela 1
Totale 10.960
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Città #
Dublin 1.542
Chandler 1.160
San Mateo 787
Altamura 451
Hong Kong 423
Medford 407
Princeton 403
Andover 372
Lawrence 361
Wilmington 282
Dong Ket 224
Beijing 183
Perugia 147
Des Moines 144
Jacksonville 106
Saint Petersburg 95
Los Angeles 82
San Paolo di Civitate 82
Ann Arbor 80
Falls Church 76
Norwalk 76
Mcallen 59
Montréal 58
Munich 53
Helsinki 47
Ashburn 45
Redmond 39
Chicago 38
New York 37
Redwood City 34
Moscow 23
Shanghai 17
Brussels 16
Den Haag 16
Woodbridge 16
Izmir 15
Elk Grove Village 12
Milan 12
Rome 12
Boardman 11
Cambridge 11
Frankfurt Am Main 10
Florence 9
Houston 9
Lappeenranta 9
Lausanne 9
Zhengzhou 8
Amsterdam 6
Fairfield 6
Guangzhou 6
Islamabad 6
Paris 6
Rennes 6
Seodaemun-gu 6
Singapore 6
Central 5
Foligno 5
Ithaca 5
Kolkata 5
San Jose 5
Bhopal 4
Cartoceto 4
Düsseldorf 4
Gunzenhausen 4
Menlo Park 4
Montreal 4
Seattle 4
Tappahannock 4
Tokyo 4
Toronto 4
Auburn Hills 3
Bangkok 3
Bari 3
Belgrade 3
Bīrbhūm District 3
Darwin 3
Fargo 3
Fuzhou 3
Halle 3
Hebei 3
Kraków 3
Nanjing 3
Nanning 3
Padova 3
Pune 3
Salzburg 3
San Diego 3
Segrate 3
Warsaw 3
Winston-Salem 3
Abidjan 2
Acton 2
Assisi 2
At Tuwal 2
Banpobondong 2
Bengaluru 2
Berlin 2
Bochum 2
Bologna 2
Chaoyang 2
Totale 8.301
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Nome #
Rationalizing Electron–Phonon Interactions and Hot Carriers Cooling in 2D to 3D Metal Halide Perovskites 237
One-Year stable perovskite solar cells by 2D/3D interface engineering 226
A theoretical investigation of the Chalk-Harrod and modified Chalk-Harrod mechanisms involved in hybrid integrated circuit building 107
Acetylene to vinylidene rearrangements on electron rich d6 metal centers: A Density Functional study 73
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States 73
Structural and Electronic Properties of Photoexcited TiO2 Nanoparticles from First Principles 68
Penning ionization of N2O molecules by He* (2 3,1S) and Ne* (3P2,0) metastable atoms: A crossed beam study 67
Quantitative structure–property relationship modeling of ruthenium sensitizers for solar cells applications: novel tools for designing promising candidates 66
Absorption and Emission of the Apigenin and Luteolin Flavonoids: a TDDFT Investigation 61
Solvents for Processing Stable Tin Halide Perovskites 58
Energy vs Charge Transfer in Manganese-Doped Lead Halide Perovskites 55
Controlling competing photochemical reactions stabilizes perovskite solar cells 54
Studio di Spettroscopia Elettronica e di Spettrometria di Massa nella Ionizzazione Penning di molecole di H2O e N2O 53
Adsorption of organic dyes on TiO2 surfaces in dye-sensitized solar cells: interplay of theory and experiment 53
Acid-base Chemistry of Luteolin and its Methyl-Ethers Derivatives: a DFT and Ab Initio Investigation 52
Transient absorption spectroscopy of a heteroaromaticdonor–acceptor-p-conjugated 2,20-bipyridine dye 52
Acid-Base Properties of the N3 Ruthenium(II) Solar Cell Sensitizer: a Combined Experimental and Computational Analysis. 52
Ionization of N 2 O molecules by collision with He * ( 3,1 S) and Ne * ( 3 P 2,0 ) metastable atoms 51
DFT/TDDFT investigation of the stepwise deprotonation in tetracycline: pKa assignment and UV-vis spectroscopy 51
Nearly Monodisperse Insulator Cs4PbX6 (X = Cl, Br, I) Nanocrystals, Their Mixed Halide Compositions, and Their Transformation into CsPbX3 Nanocrystals 51
Understanding the Solution Chemistry of Lead Halide Perovskites Precursors 51
Influence of the dye molecular structure on the TiO2 conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects 50
Cation Engineering for Resonant Energy Level Alignment in Two-Dimensional Lead Halide Perovskites 50
A dynamic density functional study of the stepwise migratory insertion of isocyanides into zirconium-carbon bonds anchored to a calix[4]arene moiety 49
DFT Investigations of Formic Acid Adsorption on Single-Wall TiO2 Nanotubes: Effect of the Surface Curvature 48
Merging of E2 and E1cb reaction mechanisms: a combined theoretical and experimental study 47
Ab initio molecular dynamics simulations of elimination reactions in water solution: exploring the borderline region between the E1cb and E2 reaction mechanisms 47
Theoretical investigation of the structural and electronic properties of luteolin, apigenin and their deprotonated species 46
The nature of the lead-iodine bond in PbI2: A case study for the modelling of lead halide perovskites 46
Electron Spectroscopy and Mass Spectrometric Study of Penning Ionization of N2O and H2O molecules 46
Assessment of new gem-silanediols as suitable sensitizers for dye-sensitized solar cells 45
Evidence of a borderline region between E1cb and E2 elimination reaction mechanisms: a combined experimental and theoretical study of systems activated by the pyridine ring 44
Modeling Mesoporous Nanoparticulated TiO2Films through Nanopolyhedra Random Packing 44
Aggregation of organic dyes on TiO2 in dye-sensitized solar cells models: an ab initio investigation 44
Absorption Spectra and Excited State Energy Levels of the N719 Dye on TiO2 in Dye-Sensitized Solar Cell Models 44
Large-scale GW -BSE calculations with N3 scaling: Excitonic effects in dye-sensitized solar cells 44
Band Gap Engineering in MASnBr3 and CsSnBr3 Perovskites: Mechanistic Insights through the Application of Pressure 44
Solvent-Free Synthetic Route for Cerium(IV) Metal-Organic Frameworks with UiO-66 Architecture and Their Photocatalytic Applications 44
The dependence of the spectroscopic properties of orcein dyes on solvent proticity: insights from theory and experiments 44
Ab Initio Simulation of the Absorption Spectra of Photoexcited Carriers in TiO2 Nanoparticles 43
Synthesis, Properties, and Modeling of Cs1–xRbxSnBr3 Solid Solution: A New Mixed-Cation Lead-Free All-Inorganic Perovskite System 43
Electronic Properties and Carrier Trapping in Bi and Mn Co-Doped CsPbCl3 Perovskite 43
Photophysical properties of [Ru(phen)2(dppz)2+ intercalated into DNA: An integrated Car-Parrinello and TDDFT study 42
Cr(CO)3 activated Diels-Alder reaction on single-wall carbon nanotubes: a DFT investigation 42
Theoretical study of acetylide complexes of early transition metals  42
An EFISH, Theoretical, and PGSE NMR Investigation on the Relevant Role of Aggregation on the Second Order Response in CHCl3 of the Push-Pull Chromophores [5-[[4 '-(Dimethylamino)phenyl]ethynyl]-15-[(4 ''-nitrophenyl)ethynyl]-10,20-diphenylporphyrinate] M(II) (M = Zn, Ni) 42
Coumarin dyes containing low-band-gap chromophores for dye-sensitised solar cells 42
Alignment of the dye's molecular levels with the TiO(2) band edges in dye-sensitized solar cells: a DFT-TDDFT study 42
Alignment of energy levels in dye/semiconductor interfaces by GW calculations: Effects due to coadsorption of solvent molecules 42
Benchmarking DFT and semi-empirical methods for a reliable and cost-efficient computational screening of benzofulvene derivatives as donor materials for small-molecule organic solar cells 42
Charge Carriers Are Not Affected by the Relatively Slow-Rotating Methylammonium Cations in Lead Halide Perovskite Thin Films 42
Rationalizing the Molecular Design of Hole-Selective Contacts to Improve Charge Extraction in Perovskite Solar Cells 42
Charge-displacement analysis for excited states 42
Penning ionization of N2O molecules by He*(2 3,1S) and Ne*(3P2,0) metastable atoms: Theoretical considerations about the intermolecular interactions 41
Absorption spectrum and solvatochromism of the [Ru(4,4′-COOH-2,2′-bpy)2(NCS)2] molecular dye by time dependent density functional theory 41
First-principle molecular dynamics with ultrasoft pseudopotentials: Parallel implementation and application to extended bioinorganic systems 41
The role of 5-R-1,10-phenanthroline (R = CH3, NO2) on the emission properties and second-order NLO response of cationic Ir(III) organometallic chromophores 41
Electronic structure of MAPbI3 and MAPbCl3: importance of band alignment 41
Ab initio prediction of the emission color in phosphorescent iridium(III) complexes for OLEDs 41
Chlorine Incorporation in the CH3NH3PbI3Perovskite: Small Concentration, Big Effect 40
Polarons in Metal Halide Perovskites 40
Tin versus Lead Redox Chemistry Modulates Charge Trapping and Self-Doping in Tin/Lead Iodide Perovskites 40
A DFT investigation of base-catalyzed β-elimination reactions in water solution for systems activated by the pyridine ring: Theory vs. Experiment 40
Coordination and Haptotropic Rearrangement of Cr(CO)3 on (n,0) Nanotubes Sidewalls: a Dynamical Density Functional Study 39
Structural and Electronic Properties of TiO2 Nanostructures from First Principles 39
Ab Initio Molecular Dynamics Simulations of Methylammonium Lead Iodide Perovskite Degradation by Water 39
Benzodithiophene based organic dyes for DSSC: Effect of alkyl chain substitution on dye efficiency 39
Near-infrared absorbing unsymmetrical Zn(II) phthalocyanine for dye-sensitized solar cells 39
Time-dependent density functional theory investigations on the excited states of Ru(II)-dye-sensitized TiO2 nanoparticles: The role of sensitizer protonation 39
Charge Localization, Stabilization, and Hopping in Lead Halide Perovskites: Competition between Polaron Stabilization and Cation Disorder 39
Exploring the Limits of Three-Dimensional Perovskites: The Case of FAPb1–xSnxBr3 39
Water-Stable DMASnBr3 Lead-Free Perovskite for Effective Solar-Driven Photocatalysis 39
Ligand-engineered bandgap stability in mixed-halide perovskite LEDs 39
CH3NH3PbI3 perovskite single crystals: Surface photophysics and their interaction with the environment 38
Ultrafast THz Probe of Photoinduced Polarons in Lead-Halide Perovskites 38
Evolution of Perovskite Solar Cells: Lessons Learned from Hybrid/Organic Photovoltaics 38
Inherent Electronic Trap States in TiO2 Nanocrystals: Effect of Saturation and Sintering 37
Cobalt Electrolyte/Dye Interactions in Dye-Sensitized Solar Cells: A Combined Computational and Experimental Study 37
From the LiI-(CH3CN)1–10 small clusters to the solvation process in acetonitrile solutions of lithium iodide 37
Light-induced annihilation of Frenkel defects in organo-lead halide perovskites 37
Engineering of Ru(ii) dyes for interfacial and light-harvesting optimization 37
A density functional study on the Pt(0)-catalysed hydrosilylation of ethylene 37
Stabilizing halide perovskite surfaces for solar cell operation with wide-bandgap lead oxysalts 37
Outstanding Passivation Effect by a Mixed-Salt Interlayer with Internal Interactions in Perovskite Solar Cells 37
New thiocyanate-free ruthenium(ii) sensitizers with different pyrid-2-yl tetrazolate ligands for dye-sensitized solar cells 36
A Computational Investigation of Organic Dyes for Dye-Sensitized Solar Cells: Benchmark, Strategies, and Open Issues 36
A plane wave implementation of the polarizable continuum model 36
Stable Ligand Coordination at the Surface of Colloidal CsPbBr3 Nanocrystals 36
New Fullerene Derivative as an n-Type Material for Highly Efficient, Flexible Perovskite Solar Cells of a p-i-n Configuration 36
Cyclometalated Ir-III Complexes with Substituted 1, 10-Phenanthrolines: A New Class of Efficient Cationic Organometallic Second-Order NLO Chromophores 35
A dynamical density functional study of CO migration in the Reppe carbonylation 35
Thermal Fluctuations on Förster Resonance Energy Transfer in Dyadic Solar Cell Sensitizers: A Combined Ab Initio Molecular Dynamics and TDDFT Investigation 35
An Oxa[5]helicene-Based Racemic Semiconducting Glassy Film for Photothermally Stable Perovskite Solar Cells 35
Cyclometallated iridium(III) complexes with substituted 1,10-phenanthrolines: A new class of highly active organometallic second order NLO-phores with excellent transparency with respect to second harmonic emission 35
Formation of Surface Defects Dominates Ion Migration in Lead-Halide Perovskites 35
Instability of tin iodide perovskites: Bulk p-doping versus surface tin oxidation 35
A combined experimental and theoretical approach revealing a direct mechanism for bifunctional water splitting on doped copper phosphide 35
Structure and electronic properties of TiO2 nanocrystals: a theoretical investigation 34
Computational modeling of single- versus double-anchoring modes in di-branched organic sensitizers on TiO2 surfaces: Structural and electronic properties 34
Cation-induced band-gap tuning in organohalide perovskites: Interplay of spin-orbit coupling and octahedra tilting 34
Totale 4.796
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Categoria #
all - tutte 57.545
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 57.545
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/201918 0 0 0 0 0 0 0 0 0 0 16 2
2019/2020667 13 30 38 12 25 4 82 51 150 110 141 11
2020/20211.372 17 25 17 33 732 81 38 2 75 44 40 268
2021/20222.900 35 537 30 36 94 81 60 1.115 71 64 330 447
2022/20234.934 424 1.100 94 216 296 496 3 204 1.908 13 135 45
2023/20241.431 125 192 102 45 35 264 370 65 133 98 2 0
Totale 11.899