IRIS
PAVONE, MICHELE
 Distribuzione geografica
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Continente #
AS - Asia 5.467
NA - Nord America 4.239
EU - Europa 4.221
SA - Sud America 754
AF - Africa 125
OC - Oceania 16
Continente sconosciuto - Info sul continente non disponibili 4
Totale 14.826
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Nazione #
US - Stati Uniti d'America 4.052
SG - Singapore 3.049
RU - Federazione Russa 2.066
CN - Cina 1.152
IT - Italia 910
BR - Brasile 595
HK - Hong Kong 494
VN - Vietnam 338
NL - Olanda 232
DE - Germania 170
IE - Irlanda 150
FI - Finlandia 139
GB - Regno Unito 119
SE - Svezia 115
UA - Ucraina 99
CA - Canada 96
IN - India 84
KR - Corea 73
AR - Argentina 61
ES - Italia 57
MX - Messico 52
PL - Polonia 42
JP - Giappone 41
ZA - Sudafrica 35
FR - Francia 34
BD - Bangladesh 30
CI - Costa d'Avorio 25
EC - Ecuador 24
TR - Turchia 23
ID - Indonesia 19
IQ - Iraq 17
LT - Lituania 17
PY - Paraguay 17
SA - Arabia Saudita 17
CL - Cile 16
PS - Palestinian Territory 16
PK - Pakistan 15
MA - Marocco 12
PH - Filippine 12
AU - Australia 11
UZ - Uzbekistan 11
VE - Venezuela 11
CH - Svizzera 10
CO - Colombia 10
EG - Egitto 10
AE - Emirati Arabi Uniti 9
MY - Malesia 9
IL - Israele 8
IR - Iran 8
PE - Perù 8
DZ - Algeria 7
TH - Thailandia 7
AT - Austria 6
CZ - Repubblica Ceca 6
KE - Kenya 6
LB - Libano 6
BB - Barbados 5
KZ - Kazakistan 5
RO - Romania 5
TW - Taiwan 5
BO - Bolivia 4
HU - Ungheria 4
MD - Moldavia 4
NO - Norvegia 4
SN - Senegal 4
AL - Albania 3
BA - Bosnia-Erzegovina 3
BE - Belgio 3
BG - Bulgaria 3
BS - Bahamas 3
BY - Bielorussia 3
EU - Europa 3
GT - Guatemala 3
JM - Giamaica 3
LY - Libia 3
MN - Mongolia 3
NZ - Nuova Zelanda 3
PA - Panama 3
PR - Porto Rico 3
TN - Tunisia 3
TT - Trinidad e Tobago 3
UY - Uruguay 3
AD - Andorra 2
AF - Afghanistan, Repubblica islamica di 2
AO - Angola 2
AZ - Azerbaigian 2
BW - Botswana 2
CG - Congo 2
CU - Cuba 2
DO - Repubblica Dominicana 2
ET - Etiopia 2
GD - Grenada 2
GF - Guiana Francese 2
HN - Honduras 2
KH - Cambogia 2
LA - Repubblica Popolare Democratica del Laos 2
LI - Liechtenstein 2
LU - Lussemburgo 2
MK - Macedonia 2
NE - Niger 2
Totale 14.785
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Città #
Singapore 1.474
Hong Kong 487
Moscow 487
Chandler 462
Ashburn 384
Hefei 321
Beijing 299
Naples 248
Santa Clara 236
Amsterdam 204
Millbury 175
Los Angeles 166
Jacksonville 154
San Jose 141
Ho Chi Minh City 132
Napoli 107
Princeton 105
New York 95
The Dalles 90
Nanjing 87
Dallas 78
Boston 68
Buffalo 68
São Paulo 62
Seoul 61
Des Moines 55
Hanoi 55
Redondo Beach 54
Seattle 47
Wilmington 46
Lawrence 42
Ottawa 42
Warsaw 39
Woodbridge 38
Tokyo 36
Chicago 31
Orem 30
Stockholm 30
Nanchang 29
Ann Arbor 28
Houston 27
Munich 27
Mexico City 26
Rio de Janeiro 25
Hebei 24
Milan 23
London 22
Phoenix 22
Atlanta 21
Montreal 21
Kronberg 20
Chennai 19
Johannesburg 19
Lappeenranta 19
Poplar 19
Pune 19
Frankfurt am Main 18
Jiaxing 18
Ávila 17
Manchester 16
Dublin 15
Shenyang 15
Denver 14
Haiphong 14
Helsinki 14
Rome 14
Tianjin 14
Toronto 14
Washington 14
Altavilla Silentina 13
Brooklyn 13
Falkenstein 13
Hải Dương 13
San Giorgio Del Sannio 13
Da Nang 12
Dong Ket 12
Parma 12
Porto Alegre 12
Brasília 11
Norwalk 11
Apeldoorn 10
Biên Hòa 10
Falls Church 10
Boardman 9
Charlotte 9
Guayaquil 9
Recife 9
San Francisco 9
Tashkent 9
Thái Nguyên 9
Turku 9
Battipaglia 8
Belo Horizonte 8
Changsha 8
City of London 8
Nuremberg 8
Padova 8
Quito 8
Ramallah 8
Baghdad 7
Totale 7.651
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Nome #
A fast route for the synthesis of tetrazolyl oximes by a novel multicomponent reaction between Z-chlorooximes, isocyanides and trimethylsilyl azide 202
Genenvet 154
SPECTROSCOPIC PROPERTIES IN LIQUID PHASE: COMBINING MOLECULAR DYNAMICS AND HIGH LEVEL AB INITIO CALCULATIONS 131
Spectroscopic properties of molecules in solution: an effective computational approach based on non-periodic boundary conditions 130
First-Principles Study of Cu-Based Inorganic Hole Transport Materials for Solar Cell Applications 128
Interface Modification for Energy Level Alignment and Charge Extraction in CsPbI3 Perovskite Solar Cells 127
Ab initio DFT+U analysis of oxygen transport in LaCoO3: the effect of Co3+ magnetic states 127
Ab Initio DFT plus U Analysis of Oxygen Vacancy Formation and Migration in La1-xSrxFeO3-delta (x=0, 0.25, 0.50) 123
Synthesis and characterization of a new class of ruthenium-based photosensitizers 121
AB INITIO CALCULATION OF NMR PARAMETERS FOR ORGANIC AND BIOLOGICAL MOLECULES IN SOLUTION 119
Reliable NMR chemical shifts for molecules in solution by methods rooted in density functional theory 119
First-principles insights on anion redox activity in Na x Fe 1/8 Ni 1/8 Mn 3/4 O 2 : Toward efficient high-energy cathodes for Na-ion batteries 116
Spectroscopic properties in liquid phase: combining high-level ab initio calculations and classical molecular dynamics 116
First-principles study of Sr2Fe2-xMoxO6 (SFMO) for solid oxide fuel cell applications 116
Ab initio study of PbCr(1- x)SxO4 solid solution: An inside look at Van Gogh Yellow degradation 116
Electronic structure and interfacial features of triphenylamine- and phenothiazine-based hole transport materials for methylammonium lead iodide perovskite solar cells 113
Approcci computazionali integrati per simulazioni di processi molecolari. Sviluppi ed applicazioni per lo studio di sistemi molecolari di interesse biologico 113
Oxygen evolution reaction at the Mo/W-doped bismuth vanadate surface: Assessing the dopant role by DFT calculations 112
Role of defect-driven surface reconstructions in transition metal oxide electrocatalysis towards OER/ORR: A quantum-mechanical perspective 111
Synthesis of a Photosensitized Artificial Metalloenzyme for Hydrogen Evolution 111
From Melanins to OLED Devices: Taking Inspiration from the Black Human Pigments for the Design of Innovative Electroluminescent Materials. 111
Effects of A- and B-site doping on {La,Sr}MnO3 (LSM)-based cathodematerials for solid oxide fuel cells. 110
Confinement of Semiconductor ZnO Nanoparticles in Block Copolymer Nanostructure 110
In Situ Formation of Zwitterionic Ligands: Changing the Passivation Paradigms of CsPbBr3 Nanocrystals 108
An ab initio study of Cu-based delafossites as an alternative to nickel oxide in photocathodes: effects of Mg-doping and surface electronic features 108
Luminescent cis-Iridium(III) Complex Based on a Bis(6,7-dimethoxy-3,4-dihydroisoquinoline) Platform Featuring an Unusual cis Orientation of the C∧N Ligands: From a Theoretical Approach to a Deep Red LEEC Device 107
Synthesis and characterization of a new “Ru(II)/Co(III)” artificial peptide conjugate-based photocatalysis 107
Effect of antisite defects on the formation of oxygen vacancies in Sr(2)FeMoO(6): implications for ion and electron transport 106
Calculation of EPR parameters in solution by a recent integrated computational approach 105
Tuning perovskite{\textendash}based oxides for effective electrodes in solid oxide electrochemical cells 104
From oxide to proton conduction: A quantum-chemical perspective on the versatility of Sr2Fe1.5Mo0.5O6−δ-based materials 104
Triple A-Site Cation Mixing in 2D Perovskite-Inspired Antimony Halide Absorbers for Efficient Indoor Photovoltaics 103
Accurate ground and excited state studies for molecular systems of biological interest. 103
Theoretical modeling of spectroscopic properties of molecules in solution: an effective integrated approach based on localized basis sets and non-periodic boundary conditions 103
Integrated computational approaches for ground and excited state studies for molecular systems of biological interest 103
Tuning optical and electronic properties in novel carbazole photosensitizers for p-type dye-sensitized solar cells 102
First-principles study of interfacial features and charge dynamics between spiro-MeOTAD and photoactive lead halide perovskites 101
Effective prediction of SnO2 conduction band edge potential: The key role of surface oxygen vacancies 101
ACCURATE PREDICTION OF SPECTROSCOPIC PARAMETERS IN CONDENSED PHASE: A DISCRETE/CONTINUUM APPROACH 100
First-principles study of Sr(2)Fe(2-x)Mo(x)O(6-d) (SFMO) for solid oxide fuel cell applications 100
First-Principles Study of Lanthanum Strontium Manganite: Insights into Electronic Structure and Oxygen Vacancy Formation 100
First-Principles Design of New Electrodes for Proton-Conducting Solid-Oxide Electrochemical Cells: A-Site Doped Sr2Fe1.5Mo0.5O6-δ Perovskite 100
Vinylene carbonate reactivity at lithium metal surface: first-principles insights into the early steps of SEI formation 99
An Ab Initio Study of Li/Ni-doped {NaxMeO}2 Cathode Material for Na-Ion Batteries 99
Origin and Electronic Features of Reactive Oxygen Species at Hybrid Zirconia-Acetylacetonate Interfaces 99
FIRST-PRINCIPLES MODELING OF PEROVSKITE TYPE TRANSITION METAL OXIDES AS CATHODE MATERIALS FOR SOLID OXIDE FUEL CELL APPLICATIONS 99
Design and synthesis of novel organometallic dyes for NiO sensitization and photo-electrochemical applications 99
Interfacial electronic features in methyl-ammonium lead iodide and p-type oxide heterostructures: New insights for inverted perovskite solar cells 99
On the properties of microsolvated molecules in the ground (S0) and excited (S1) states: The anisole-ammonia 1:1 complex 98
Ab initio computation of spectroscopic parameters as a tool for the structural elucidation of organic systems 98
Evidence of Variable H-Bond Network for Nitroxide Radicals in Protic Solvents 98
Toward an effective modelling of weakly bound molecular complexes: modified DFT-D scheme for stacking/dispersion and hydrogen bond interactions 98
Stability of melamine-exfoliated graphene in aqueous media: Quantum-mechanical insights at the nanoscale 98
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 97
Structural and electronic properties of defective 2D transition metal dichalcogenide heterostructures 97
Halide Engineering in Mixed Halide Perovskite-Inspired Cu2AgBiI6 for Solar Cells with Enhanced Performance 96
First-principles modeling of cathode materials for solid oxide fuel cell applications 96
Cost-effective solar concentrators based on red fluorescent Zn(II)-salicylaldiminato complex 96
Na uptake at TiO2 anatase surfaces under electric field control: A first-principles study 95
Less Is More: Simplified Fluorene-Based Dopant-Free Hole Transport Materials Promote the Long-Term Ambient Stability of Perovskite Solar Cells 95
Comparative Static and Dynamic Study of a Prototype SN2 Reaction 95
Magnetic properties of nitroxide spin-probes: reliable account of molecular motions and non specific solvent effects by time dependent and time-independent approaches 95
Effects of molecular dynamics and solvation on the electronic structure of molecular probes 95
Effect of Coordination Sphere Geometry of Copper Redox Mediators on Regeneration and Recombination Behavior in Dye-Sensitized Solar Cell Applications 95
First-Principles Study of Na Intercalation and Diffusion Mechanisms at 2D MoS2/Graphene Interfaces 95
First-principles design of nanostructured electrode materials for Na-ion batteries: challenges and perspectives 94
Ab initio modeling of complex chemical systems 94
Unveiling structure-property relationships in Sr2Fe(1.5)Mo(0.5)O(6-delta), an electrode material for symmetric solid oxide fuel cells. 94
Structural revision of clusianone and 7-epi-clusianone and anti-HIV activity of polyisoprenylated benzophenones 93
Ab initio evaluation of oxygen diffusivity in LaFeO3: the role of lanthanum vacancies 92
Oxide ion transport in Sr2Fe1.5Mo0.5O6-delta, a mixed ion-electron conductor: new insights from first principles modeling 92
Prediction of Molecular Properties for Systems of Biological Interests 91
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) 91
Exotic hexagonal NaCl atom-thin layer on methylammonium lead iodide perovskite: new hints for perovskite solar cells from first-principles calculations 90
Probing the H-Bond network of nitroxide free radicals in different solvent environment 90
Colourless luminescent solar concentrators based on Iridium(III)-Phosphors 90
The role of Mg dopant concentration in tuning the performance of the SnO2 electron transport layer in perovskite solar cells 89
Development of SnO2 Composites as Electron Transport Layer in Unencapsulated CH3NH3PbI3 Solar Cells 89
First-principle molecular dynamics of the Berry pseudorotation: insights on 19F NMR in SF4 88
Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry 87
Ru-Doping of P2-NaxMn0.75Ni0.25O2-Layered Oxides for High-Energy Na-Ion Battery Cathodes: First-Principles Insights on Activation and Control of Reversible Oxide Redox Chemistry 86
Ab Initio Modeling of Layered Oxide High-Energy Cathodes for Na-Ion Batteries 86
Ab initio study of anchoring groups for CuGaO 2 delafossite-based p-type dye sensitized solar cells 86
Approche statique et dynamique de la réactivité: une étude DFT comparative 85
Computational design of cobalt-free mixed proton–electron conductors for solid oxide electrochemical cells 84
Role of surface defects in CO2 adsorption and activation on CuFeO2 delafossite oxide 84
Monoclinic and orthorhombic namno2 for secondary batteries: A comparative study 84
Dissecting the Role of the Hole-Transport Layer in Cu2 AgBiI6 Solar Cells: An Integrated Experimental and Theoretical Study 83
Structural Evolution of Air-Exposed Layered Oxide Cathodes for Sodium-Ion Batteries: An Example of Ni-doped NaxMnO2 82
Solvent effects on the UV (n --> pi*) and NMR (13C and 17O) spectra of acetone in aqueous solution. An integrated Car-Parrinello and DFT/PCM approach 82
Computational materials science at work: Density functional based study of structural and optical properties of tin oxide surface 82
Dynamics of Water Dissociative Adsorption on TiO2Anatase (101) at Monolayer Coverage and Below 81
Interplay of Intrinsic, Environmental, and Dynamic Effects in Tuning the EPR Parameters of Nitroxides: Further Insights from an Integrated Computational Approach 81
Ab initio reaction pathways for dissociative adsorption of dioxygen on Al (111) 81
Exchange of Equatorial Ligands in Protein-bound Paddlewheel Ru25+ Complexes: New Insights form X-ray Crystallography and Quantum Chemistry 80
A unified quantum mechanics embedding theory for materials and molecules. 80
Copper Bipyridyl Redox Mediators for Dye-Sensitized Solar Cells with High Photovoltage 80
First-principles study of Na insertion at TiO2 anatase surfaces: New hints for Na-ion battery design 80
Structure and energy level alignment at the dye-electrode interface in p-type DSSCs: new hints on the role of anchoring modes from ab initio calculations 79
Structural, thermodynamic, and magnetic properties of adducts between TEMPO radical and alcohols in solution: new insights from DFT and discrete-continuum solvent models 78
Totale 10.040
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Categoria #
all - tutte 48.576
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 48.576
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021155 0 0 0 0 0 0 33 21 28 22 22 29
2021/2022713 20 2 16 9 5 26 25 43 141 26 41 359
2022/20231.208 173 89 22 104 126 123 21 80 192 199 64 15
2023/2024824 24 103 139 42 55 100 31 83 20 22 149 56
2024/20254.534 217 275 34 56 179 191 483 294 332 369 1.706 398
2025/20266.147 930 791 1.034 985 1.744 391 272 0 0 0 0 0
Totale 15.066