Arrigo Calzolari : rechercher sur Z-Library

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1

Spin and orbital configuration of metal phthalocyanine chains assembled on the Au(110) surface

Gargiani, Pierluigi, Rossi, Giorgio, Biagi, Roberto, Corradini, Valdis, Pedio, Maddalena, Fortuna, Sara, Calzolari, Arrigo, Fabris, Stefano, Cezar, Julio Criginski, Brookes, N. B., Betti, Maria Grazia

Journal:

Physical Review B

Année:

2013

Langue:

english

Fichier:

PDF, 1.73 MB

english, 2013

2

Effective and accurate representation of extended Bloch states on finite Hilbert spaces

Agapito, Luis A., Ferretti, Andrea, Calzolari, Arrigo, Curtarolo, Stefano, Buongiorno Nardelli, Marco

Journal:

Physical Review B

Année:

2013

Langue:

english

Fichier:

PDF, 1.03 MB

english, 2013

3

Transparent Conductive Oxides as Near-IR Plasmonic Materials: The Case of Al-Doped ZnO Derivatives

Calzolari, Arrigo, Ruini, Alice, Catellani, Alessandra

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 529 KB

english, 2014

4

On the Magnetic Alignment of Metal Ions in a DNA-Mimic Double Helix

Zhang, Hou Yu, Calzolari, Arrigo, Di Felice, Rosa

Journal:

Journal of Physical Chemistry B

Année:

2005

Langue:

english

Fichier:

PDF, 176 KB

english, 2005

5

Light-Induced Field Enhancement in Nanoscale Systems from First-Principles: The Case of Polyacenes

Bursi, Luca, Calzolari, Arrigo, Corni, Stefano, Molinari, Elisa

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 6.16 MB

english, 2014

6

Spectroscopic identification of the chemical interplay between defects and dopants in Al-doped ZnO

Benedetti, Stefania, Valenti, Ilaria, di Bona, Alessandro, Vinai, Giovanni, Castan-Guerrero, Celia, Valeri, Sergio, Catellani, Alessandra, Ruini, Alice, Torelli, Piero, Calzolari, Arrigo

Journal:

Physical Chemistry Chemical Physics

Année:

2017

Langue:

english

Fichier:

PDF, 4.05 MB

english, 2017

7

Conductive Nanostructures of MMX Chains

Alejandro Guijarro, Oscar Castillo, Lorena Welte, Arrigo Calzolari, Pablo J. Sanz Miguel, Carlos J. Gómez-García, David Olea, Rosa di Felice, Julio Gómez-Herrero, Felix Zamora

Journal:

Advanced Functional Materials

Année:

2010

Langue:

english

Fichier:

PDF, 381 KB

english, 2010

8

Biomolecular Electronic Devices Based on Self-Organized Deoxyguanosine Nanocrystals

ROSS RINALDI, EMANUELA BRANCA, ROBERTO CINGOLANI, ROSA DI FELICE, ARRIGO CALZOLARI, ELISA MOLINARI, SALVATORE MASIERO, GIANPIERO SPADA, GIOVANNI GOTTARELLI, ANNA GARBESI

Journal:

Annals of the New York Academy of Sciences

Année:

2002

Langue:

english

Fichier:

PDF, 3.65 MB

english, 2002

9

Electronic structure of single DNA molecules resolved by transverse scanning tunnelling spectroscopy

Shapir, Errez, Cohen, Hezy, Calzolari, Arrigo, Cavazzoni, Carlo, Ryndyk, Dmitry A., Cuniberti, Gianaurelio, Kotlyar, Alexander, Di Felice, Rosa, Porath, Danny

Journal:

Nature Materials

Année:

2007

Langue:

english

Fichier:

PDF, 496 KB

english, 2007

10

Highly conductive self-assembled nanoribbons of coordination polymers

Welte, Lorena, Calzolari, Arrigo, Di Felice, Rosa, Zamora, Felix, Gómez-Herrero, Julio

Journal:

Nature Nanotechnology

Année:

2009

Langue:

english

Fichier:

PDF, 680 KB

english, 2009

11

Dipolar and charge transfer effects on the atomic stabilization of ZnO polar surfaces

Calzolari, Arrigo, Bazzani, Mirco, Catellani, Alessandra

Journal:

Surface Science

Année:

2013

Langue:

english

Fichier:

PDF, 968 KB

english, 2013

12

Stability and Migration of Metal Ions in G4-Wires by Molecular Dynamics Simulations

Cavallari, Manuela, Calzolari, Arrigo, Garbesi, Anna, Di Felice, Rosa

Journal:

Journal of Physical Chemistry B

Année:

2006

Langue:

english

Fichier:

PDF, 1.10 MB

english, 2006

13

Dielectric and Thermal Effects on the Optical Properties of Natural Dyes: A Case Study on Solvated Cyanin

Malcıoğlu, Osman Bariş, Calzolari, Arrigo, Gebauer, Ralph, Varsano, Daniele, Baroni, Stefano

Journal:

Journal of the American Chemical Society

Année:

2011

Langue:

english

Fichier:

PDF, 3.84 MB

english, 2011

14

Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers

Calzolari, Arrigo, Chen, Yifeng, Lewis, Geoffrey F., Dougherty, Daniel B., Shultz, David, Buongiorno Nardelli, Marco

Journal:

Journal of Physical Chemistry B

Année:

2012

Langue:

english

Fichier:

PDF, 3.06 MB

english, 2012

15

Electrical Behaviour of Heterobimetallic [MM′(EtCS 2 ) 4 ] (MM′=NiPd, NiPt, PdPt) and MM′X-Chain Polymers [PtM(EtCS 2 ) 4 I] (M=Ni, Pd)

Givaja, Gonzalo, Castillo, Oscar, Mateo, Eva, Gallego, Almudena, Gómez-García, Carlos J., Calzolari, Arrigo, di Felice, Rosa, Zamora, Félix

Journal:

Chemistry - A European Journal

Année:

2012

Langue:

english

Fichier:

PDF, 850 KB

english, 2012

16

Structure and Molecule–Substrate Interaction in a Co-octaethyl Porphyrin Monolayer on the Ag(110) Surface

Fanetti, Mattia, Calzolari, Arrigo, Vilmercati, Paolo, Castellarin-Cudia, Carla, Borghetti, Patrizia, Di Santo, Giovanni, Floreano, Luca, Verdini, Alberto, Cossaro, Albano, Vobornik, Ivana, Annese, Em

Journal:

The Journal of Physical Chemistry C

Année:

2011

Langue:

english

Fichier:

PDF, 4.43 MB

english, 2011

17

Charge Separation in the Hybrid CdSe Nanocrystal–Organic Interface: Role of the Ligands Studied by Ultrafast Spectroscopy and Density Functional Theory

Virgili, Tersilla, Calzolari, Arrigo, Suárez López, Inmaculada, Vercelli, Barbara, Zotti, Gianni, Catellani, Alessandra, Ruini, Alice, Tassone, Francesco

Journal:

The Journal of Physical Chemistry C

Année:

2013

Langue:

english

Fichier:

PDF, 910 KB

english, 2013

18

coupling and band transport

Di Felice, Rosa, Calzolari, Arrigo, Molinari, Elisa, Garbesi, Anna

Journal:

Physical Review B

Année:

2001

Langue:

english

Fichier:

PDF, 456 KB

english, 2001

19

Modification of Molecular Spin Crossover in Ultrathin Films

Pronschinske, Alex, Chen, Yifeng, Lewis, Geoffrey F., Shultz, David A., Calzolari, Arrigo, Buongiorno Nardelli, Marco, Dougherty, Daniel B.

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 4.33 MB

english, 2013

20

Ab initio transport properties of nanostructures from maximally localized Wannier functions

Calzolari, Arrigo, Marzari, Nicola, Souza, Ivo, Buongiorno Nardelli, Marco

Journal:

Physical Review B

Année:

2004

Langue:

english

Fichier:

PDF, 503 KB

english, 2004

21

Anchor Group versus Conjugation: Toward the Gap-State Engineering of Functionalized ZnO(101̅0) Surface for Optoelectronic Applications

Calzolari, Arrigo, Ruini, Alice, Catellani, Alessandra

Journal:

Journal of the American Chemical Society

Année:

2011

Langue:

english

Fichier:

PDF, 2.64 MB

english, 2011

22

First principles description of the electronic properties of doped ZnO

Catellani, Alessandra, Ruini, Alice, Cicero, Giancarlo, Calzolari, Arrigo

Journal:

physica status solidi (b)

Année:

2013

Langue:

english

Fichier:

PDF, 331 KB

english, 2013

23

Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach

Calzolari, Arrigo, Nardelli, Marco Buongiorno

Journal:

Scientific Reports

Année:

2013

Langue:

english

Fichier:

PDF, 583 KB

english, 2013

24

Spin-transport selectivity upon Co adsorption on antiferromagnetic graphene nanoribbons

Cocchi, Caterina, Prezzi, Deborah, Calzolari, Arrigo, Molinari, Elisa

Journal:

The Journal of Chemical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 1.17 MB

english, 2010

25

Electronic and Transport Properties of Artificial Gold Chains

Calzolari, Arrigo, Cavazzoni, Carlo, Buongiorno Nardelli, Marco

Journal:

Physical Review Letters

Année:

2004

Langue:

english

Fichier:

PDF, 452 KB

english, 2004

26

Surface functionalization through adsorption of organic molecules

Calzolari, Arrigo, Felice, Rosa Di

Journal:

Journal of Physics Condensed Matter

Année:

2007

Langue:

english

Fichier:

PDF, 1.07 MB

english, 2007

27

Fluorine-Induced Enhancement of the Oxidation Stability and Deep-Blue Optical Activity in Conductive Polyfluorene Derivatives

Calzolari, Arrigo, Vercelli, Barbara, Ruini, Alice, Virgili, Tersilla, Pasini, Mariacecilia

Journal:

The Journal of Physical Chemistry C

Année:

2013

Langue:

english

Fichier:

PDF, 348 KB

english, 2013

28

Oxygen-mediated electron transport through hybrid silicon–organic interfaces

Bonferroni, Benedetta, Ferretti, Andrea, Calzolari, Arrigo, Ruini, Alice, Caldas, Marilia J, Molinari, Elisa

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 415 KB

english, 2008

29

Substrate-Mediated Intermolecular Hybridization in Binary Phthalocyanine Superstructures

Calzolari, Arrigo, Jin, Wei, Reutt-Robey, Janice E., Buongiorno Nardelli, Marco

Journal:

The Journal of Physical Chemistry C

Année:

2010

Langue:

english

Fichier:

PDF, 3.93 MB

english, 2010

30

Strain-Dependence of the Electronic Properties in Periodic Quadruple Helical G4-Wires

Di Felice, Rosa, Calzolari, Arrigo, Garbesi, Anna, Alexandre, Simone S., Soler, José M.

Journal:

Journal of Physical Chemistry B

Année:

2005

Langue:

english

Fichier:

PDF, 254 KB

english, 2005

31

Molecule-Driven Substrate Reconstruction in the Two-Dimensional Self-Organization of Fe-Phthalocyanines on Au(110)

Fortuna, Sara, Gargiani, Pierluigi, Betti, Maria Grazia, Mariani, Carlo, Calzolari, Arrigo, Modesti, Silvio, Fabris, Stefano

Journal:

The Journal of Physical Chemistry C

Année:

2012

Langue:

english

Fichier:

PDF, 2.97 MB

english, 2012

32

Water Adsorption on Nonpolar ZnO(101̅0) Surface: A Microscopic Understanding

Calzolari, Arrigo, Catellani, Alessandra

Journal:

The Journal of Physical Chemistry C

Année:

2009

Langue:

english

Fichier:

PDF, 1.48 MB

english, 2009

33

Functionalization of SiC(110) Surfaces via Porphyrin Adsorption: Ab Initio Results

Catellani, Alessandra, Calzolari, Arrigo

Journal:

The Journal of Physical Chemistry C

Année:

2012

Langue:

english

Fichier:

PDF, 3.98 MB

english, 2012

34

Electron Channels in Biomolecular Nanowires

Calzolari, Arrigo, Di Felice, Rosa, Molinari, Elisa, Garbesi, Anna

Journal:

Journal of Physical Chemistry B

Année:

2004

Langue:

english

Fichier:

PDF, 276 KB

english, 2004

35

Metallicity in Individual MMX Chains

Calzolari, Arrigo, Alexandre, Simone S., Zamora, Felix, Di Felice, Rosa

Journal:

Journal of the American Chemical Society

Année:

2008

Langue:

english

Fichier:

PDF, 1.99 MB

english, 2008

36

Optical Enhancement in Heteroleptic Ru(II) Polypyridyl Complexes Using Electron-Donor Ancillary Ligands

Dong, Rui, Calzolari, Arrigo, di Felice, Rosa, El-Shafei, Ahmed, Hussain, Maqbool, Buongiorno Nardelli, Marco

Journal:

The Journal of Physical Chemistry C

Année:

2014

Langue:

english

Fichier:

PDF, 2.15 MB

english, 2014

37

Substitutional Impurities in PPV Crystals: An Intrinsic Donor−Acceptor System for High V OC Photovoltaic Devices

Calzolari, Arrigo, Ruini, Alice, Cavazzoni, Carlo, Caldas, Marília J.

Journal:

The Journal of Physical Chemistry C

Année:

2010

Langue:

english

Fichier:

PDF, 1.81 MB

english, 2010

38

Electronic Structure of Self-Assembled Monolayers Modified with Ferrocene on a Gold Surface: Evidence of Electron Tunneling

Lima, Filipe C. D. A., Calzolari, Arrigo, Caldas, Marília J., Iost, Rodrigo M., Crespilho, Frank N., Petrilli, Helena M.

Journal:

The Journal of Physical Chemistry C

Année:

2014

Langue:

english

Fichier:

PDF, 1.95 MB

english, 2014

39

Hydroxyl-Rich β-Sheet Adhesion to the Gold Surface in Water by First-Principle Simulations

Calzolari, Arrigo, Cicero, Giancarlo, Cavazzoni, Carlo, Di Felice, Rosa, Catellani, Alessandra, Corni, Stefano

Journal:

Journal of the American Chemical Society

Année:

2010

Langue:

english

Fichier:

PDF, 4.53 MB

english, 2010

40

Scanning Tunneling Spectroscopy of Single DNA Molecules

Ryndyk, Dmitry A., Shapir, Errez, Porath, Danny, Calzolari, Arrigo, Di Felice, Rosa, Cuniberti, Gianaurelio

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 1.76 MB

english, 2009

41

Electron Channels in Biomolecular Nanowires

Calzolari, Arrigo, Felice, Rosa Di, Molinari, Elisa, Garbesi, Anna

Journal:

Journal of Physical Chemistry B

Année:

2004

Langue:

english

Fichier:

PDF, 139 KB

english, 2004

42

Electrical Conductivity in Platinum-Dimer Columns

Guijarro, Alejandro, Castillo, Oscar, Calzolari, Arrigo, Miguel, Pablo J. Sanz, Gómez-García, Carlos J., di Felice, Rosa, Zamora, Félix

Journal:

Inorganic Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 258 KB

english, 2008

43

Formation of Hybrid Electronic States in FePc Chains Mediated by the Au(110) Surface

Betti, Maria Grazia, Gargiani, Pierluigi, Mariani, Carlo, Turchini, Stefano, Zema, Nicola, Fortuna, Sara, Calzolari, Arrigo, Fabris, Stefano

Journal:

The Journal of Physical Chemistry C

Année:

2012

Langue:

english

Fichier:

PDF, 3.25 MB

english, 2012

44

Surface Effects on Catechol/Semiconductor Interfaces

Calzolari, Arrigo, Ruini, Alice, Catellani, Alessandra

Journal:

The Journal of Physical Chemistry C

Année:

2012

Langue:

english

Fichier:

PDF, 2.23 MB

english, 2012

45

Iron(ii) spin crossover films on Au(111): scanning probe microscopy and photoelectron spectroscopy

Pronschinske, Alex, Bruce, Robert C., Lewis, Geoff, Chen, Yifeng, Calzolari, Arrigo, Buongiorno-Nardelli, Marco, Shultz, David A., You, Wei, Dougherty, Daniel B.

Journal:

Chemical Communications

Année:

2013

Langue:

english

Fichier:

PDF, 2.01 MB

english, 2013

46

Optical properties of anthocyanins in the gas phase

Ge, Xiaochuan, Calzolari, Arrigo, Baroni, Stefano

Journal:

Chemical Physics Letters

Année:

2015

Langue:

english

Fichier:

PDF, 802 KB

english, 2015

47

Mixing of Electronic States in Pentacene Adsorption on Copper

Ferretti, Andrea, Baldacchini, Chiara, Calzolari, Arrigo, Di Felice, Rosa, Ruini, Alice, Molinari, Elisa, Betti, Maria Grazia

Journal:

Physical Review Letters

Année:

2007

Langue:

english

Fichier:

PDF, 506 KB

english, 2007

48

Symmetry lowering of pentacene molecular states interacting with a Cu surface

Baldacchini, Chiara, Mariani, Carlo, Betti, Maria Grazia, Vobornik, Ivana, Fujii, Jun, Annese, Emilia, Rossi, Giorgio, Ferretti, Andrea, Calzolari, Arrigo, Di Felice, Rosa, Ruini, Alice, Molinari, Eli

Journal:

Physical Review B

Année:

2007

Langue:

english

Fichier:

PDF, 357 KB

english, 2007

49

SiC surfaces from first principles

Brandino, Giuseppe Piero, Cicero, Giancarlo, Bonferroni, Benedetta, Ferretti, Andrea, Calzolari, Arrigo, Bertoni, Carlo Maria, Catellani, Alessandra

Journal:

Physical Review B

Année:

2007

Langue:

english

Fichier:

PDF, 365 KB

english, 2007

50

Optoelectronic properties of Al:ZnO: Critical dosage for an optimal transparent conductive oxide

Bazzani, Mirco, Neroni, Andrea, Calzolari, Arrigo, Catellani, Alessandra

Journal:

Applied Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 330 KB

english, 2011