Valentin, Cristiana Di: search on Z-Library

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1

Cerium-Doped Zirconium Dioxide, a Visible-Light-Sensitive Photoactive Material of Third Generation

Gionco, Chiara, Paganini, Maria C., Giamello, Elio, Burgess, Robertson, Di Valentin, Cristiana, Pacchioni, Gianfranco

Journal:

The Journal of Physical Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 1.08 MB

english, 2014

2

Visible-Light Activation of TiO2 Photocatalysts: Advances in Theory and Experiments

Etacheri, Vinodkumar, Di Valentin, Cristiana, Schneider, Jenny, Bahnemann, Detlef, Pillai, Suresh C.

Journal:

Journal of Photochemistry and Photobiology C: Photochemistry Reviews

Year:

2015

Language:

english

File:

PDF, 9.94 MB

english, 2015

3

Trends in non-metal doping of anatase TiO2: B, C, N and F

Di Valentin, Cristiana, Pacchioni, Gianfranco

Journal:

Catalysis Today

Year:

2013

Language:

english

File:

PDF, 800 KB

english, 2013

4

Single Electron Traps at the Surface of Polycrystalline MgO: Assignment of the Main Trapping Sites

Chiesa, Mario, Paganini, Maria Cristina, Spoto, Giuseppe, Giamello, Elio, Di Valentin, Cristiana, Del Vitto, Annalisa, Pacchioni, Gianfranco

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 252 KB

english, 2005

5

Theoretical Studies on Anatase and Less Common TiO 2 Phases: Bulk, Surfaces, and Nanomaterials

De Angelis, Filippo, Di Valentin, Cristiana, Fantacci, Simona, Vittadini, Andrea, Selloni, Annabella

Journal:

Chemical Reviews

Year:

2014

Language:

english

File:

PDF, 2.68 MB

english, 2014

6

[Topics in Current Chemistry] First Principles Approaches to Spectroscopic Properties of Complex Materials Volume 347 || Probing Strongly Correlated Materials in Non-equilibrium: Basic Concepts and Possible Future Trends in First Principle Approaches

Di Valentin, Cristiana, Botti, Silvana, Cococcioni, Matteo

Year:

2014

Language:

english

File:

PDF, 1.08 MB

english, 2014

7

[Topics in Current Chemistry] First Principles Approaches to Spectroscopic Properties of Complex Materials Volume 347 ||

Di Valentin, Cristiana, Botti, Silvana, Cococcioni, Matteo

Year:

2014

Language:

english

File:

PDF, 8.55 MB

english, 2014

8

[Topics in Current Chemistry] First Principles Approaches to Spectroscopic Properties of Complex Materials Volume 347 || Quasiparticle Self-Consistent GW Method for the Spectral Properties of Complex Materials

Di Valentin, Cristiana, Botti, Silvana, Cococcioni, Matteo

Year:

2014

Language:

english

File:

PDF, 875 KB

english, 2014

9

Single Atom Catalysts (SAC) Trapped in Defective and Nitrogen-doped Graphene Supported on Metal Substrates

Baby, Anu, Trovato, Laura, Di Valentin, Cristiana

Journal:

Year:

2020

File:

PDF, 14.15 MB

2020

10

Activation of Oxygen on MgO: O2.− Radical Ion Formation on Thin, Metal-Supported MgO(001) Films

Anastasia Gonchar, Prof. Dr. Thomas Risse, Prof. Dr. Hans-Joachim Freund, Dr. Livia Giordano, Dr. Cristiana Di Valentin, Prof. Dr. Gianfranco Pacchioni

Journal:

Angewandte Chemie International Edition

Year:

2011

Language:

english

File:

PDF, 511 KB

english, 2011

11

Methanol on anatase TiO2 (101): Mechanistic insights into photocatalysis

Setvin, Martin, Shi, Xiao, Hulva, Jan, Simschitz, Thomas, Parkinson, Gareth S., Schmid, Michael, Di Valentin, Cristiana, Selloni, Annabella, Diebold, Ulrike

Journal:

Year:

2017

Language:

english

File:

PDF, 8.14 MB

english, 2017

12

Modelling realistic TiO 2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT

Selli, Daniele, Fazio, Gianluca, Di Valentin, Cristiana

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 7.75 MB

english, 2017

13

Microscopic insight into the single step growth of in-plane heterostructures between graphene and hexagonal boron nitride

Nguyen, Thanh Hai, Perilli, Daniele, Cattelan, Mattia, Liu, Hongsheng, Sedona, Francesco, Fox, Neil A., Di Valentin, Cristiana, Agnoli, Stefano

Journal:

Year:

2019

Language:

english

File:

PDF, 2.29 MB

english, 2019

14

Scanning tunneling microscopy image simulation of the rutile (110) TiO[sub 2] surface with hybrid functionals and the localized basis set approach

Di Valentin, Cristiana

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1.77 MB

english, 2007

15

Carbothermal Transformation of TiO 2 into TiO x C y in UHV: Tracking Intrinsic Chemical Stabilities

Calvillo, Laura, Fittipaldi, Diego, Rüdiger, Celine, Agnoli, Stefano, Favaro, Marco, Valero-Vidal, Carlos, Di Valentin, Cristiana, Vittadini, Andrea, Bozzolo, Nathalie, Jacomet, Suzane, Gregoratti, Lu

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 6.11 MB

english, 2014

16

[Topics in Current Chemistry] First Principles Approaches to Spectroscopic Properties of Complex Materials Volume 347 || Gas-Phase Valence-Electron Photoemission Spectroscopy Using Density Functional Theory

Di Valentin, Cristiana, Botti, Silvana, Cococcioni, Matteo

Year:

2014

Language:

english

File:

PDF, 1.09 MB

english, 2014

17

Nucleation of Pd Dimers at Defect Sites of the MgO(100) Surface

Giordano, Livia, Di Valentin, Cristiana, Goniakowski, Jacek, Pacchioni, Gianfranco

Journal:

Physical Review Letters

Year:

2004

Language:

english

File:

PDF, 524 KB

english, 2004

18

Density-functional model cluster studies of EPR g tensors of F[sub s][sup +] centers on the surface of MgO

Di Valentin, Cristiana, Neyman, Konstantin M., Risse, Thomas, Sterrer, Martin, Fischbach, Esther, Freund, Hans-Joachim, Nasluzov, Vladimir A., Pacchioni, Gianfranco, Rösch, Notker

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 215 KB

english, 2006

19

Catalysis under cover: enhanced reactivity at the interface between (doped) graphene and anatase TiO2

Ferrighi, Lara, Datteo, Martina, Fazio, Gianluca, Di Valentin, Cristiana

Journal:

Journal of the American Chemical Society

Year:

2016

Language:

english

File:

PDF, 2.07 MB

english, 2016

20

Communication: Hole localization in Al-doped quartz SiO 2 within ab initio hybrid-functional DFT

Gerosa, Matteo, Di Valentin, Cristiana, Bottani, Carlo Enrico, Onida, Giovanni, Pacchioni, Gianfranco

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 670 KB

english, 2015

21

A mechanism for the hole-mediated water photooxidation on TiO 2 (1 0 1) surfaces

Di Valentin, Cristiana

Journal:

Journal of Physics Condensed Matter

Year:

2016

Language:

english

File:

PDF, 788 KB

english, 2016

22

Bulk-terminated or reconstructed Fe 3 O 4 (001) surface: water makes a difference

Liu, Hongsheng, Di Valentin, Cristiana

Journal:

Year:

2018

Language:

english

File:

PDF, 1.26 MB

english, 2018

23

Computational electrochemistry of water oxidation on metal-doped and metal-supported defective h-BN

Perilli, Daniele, Selli, Daniele, Liu, Hongsheng, Di Valentin, Cristiana

Journal:

Year:

2019

Language:

english

File:

PDF, 3.62 MB

english, 2019

24

TETT-functionalized TiO 2 nanoparticles for DOX loading: a quantum mechanical study at the atomic scale

Datteo, Martina, Ferraro, Lorenzo, Seifert, Gotthard, Di Valentin, Cristiana

Journal:

Nanoscale Advances

Year:

2020

File:

PDF, 1.26 MB

2020

25

Electron Traps on Oxide Surfaces: (H+)(e−) Pairs Stabilized on the Surface of 17O Enriched CaO

Mario Chiesa, Maria Cristina Paganini, Elio Giamello, Cristiana Di Valentin, Gianfranco Pacchioni

Journal:

Year:

2006

Language:

english

File:

PDF, 137 KB

english, 2006

26

O− radical anions on polycrystalline MgO

Cristiana Di Valentin, Davide Ricci, Gianfranco Pacchioni, Mario Chiesa, Maria Cristina Paganini, Elio Giamello

Journal:

Surface Science

Year:

2002

Language:

english

File:

PDF, 334 KB

english, 2002

27

Anatase TiO 2 Surface Functionalization by Alkylphosphonic Acid: A DFT+D Study

Di Valentin, Cristiana, Costa, Dominique

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 498 KB

english, 2012

28

Band gap engineering of bulk ZrO2 by Ti doping

Gallino, Federico, Di Valentin, Cristiana, Pacchioni, Gianfranco

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.76 MB

english, 2011

29

N 2− Radical Anions Trapped in Bulk Polycrystalline MgO

Napoli, Francesco, Chiesa, Mario, Giamello, Elio, Fittipaldi, Maria, Di Valentin, Cristiana, Gallino, Federico, Pacchioni, Gianfranco

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 667 KB

english, 2010

30

[Topics in Current Chemistry] First Principles Approaches to Spectroscopic Properties of Complex Materials Volume 347 || Status in Calculating Electronic Excited States in Transition Metal Oxides from First Principles

Di Valentin, Cristiana, Botti, Silvana, Cococcioni, Matteo

Year:

2014

Language:

english

File:

PDF, 669 KB

english, 2014

31

On-surface photo-dissociation of C–Br bonds: towards room temperature Ullmann coupling

Basagni, Andrea, Ferrighi, Lara, Cattelan, Mattia, Nicolas, Louis, Handrup, Karsten, Vaghi, Luca, Papagni, Antonio, Sedona, Francesco, Valentin, Cristiana Di, Agnoli, Stefano, Sambi, Mauro

Journal:

Chemical Communications

Year:

2015

Language:

english

File:

PDF, 1.04 MB

english, 2015

32

Charge Carriers Separation at the Graphene/(101) Anatase TiO 2 Interface

Ferrighi, Lara, Fazio, Gianluca, Valentin, Cristiana Di

Journal:

Advanced Materials Interfaces

Year:

2016

Language:

english

File:

PDF, 1.35 MB

english, 2016

33

Magnetic properties of nitrogen-doped ZrO2: Theoretical evidence of absence of room temperature ferromagnetism

Albanese, Elisa, Leccese, Mirko, Di Valentin, Cristiana, Pacchioni, Gianfranco

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 959 KB

english, 2016

34

Shaping Magnetite Nanoparticles from First Principles

Liu, Hongsheng, Di Valentin, Cristiana

Journal:

Physical Review Letters

Year:

2019

Language:

english

File:

PDF, 1.07 MB

english, 2019

35

Nature of Defect States in Nitrogen-Doped MgO

Pesci, Matteo, Gallino, Federico, Di Valentin, Cristiana, Pacchioni, Gianfranco

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 2.96 MB

english, 2010

36

o- Quinone Methide as Alkylating Agent of Nitrogen, Oxygen, and Sulfur Nucleophiles. The Role of H-Bonding and Solvent Effects on the Reactivity through a DFT Computational Study

Valentin, Cristiana Di, Freccero, Mauro, Zanaletti, Riccardo, Sarzi-Amadè, Mirko

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 318 KB

english, 2001

37

Concerted vs Stepwise Mechanism in 1,3-Dipolar Cycloaddition of Nitrone to Ethene, Cyclobutadiene, and Benzocyclobutadiene. A Computational Study

Di Valentin, Cristiana, Freccero, Mauro, Gandolfi, Remo, Rastelli, Augusto

Journal:

Journal of Organic Chemistry

Year:

2000

Language:

english

File:

PDF, 157 KB

english, 2000

38

NO and NO 2 Adsorption on Terrace, Step, and Corner Sites of the BaO Surface from DFT Calculations

Branda, Maria Marta, Di Valentin, Cristiana, Pacchioni, Gianfranco

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 204 KB

english, 2004

39

anions in silica networks

Brazzelli, Silvia, Di Valentin, Cristiana, Pacchioni, Gianfranco

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 457 KB

english, 2004

40

Bonding of NO to NiO(100) and Ni[sub x]Mg[sub 1−x]O(100) surfaces: A challenge for theory

Di Valentin, Cristiana, Pacchioni, Gianfranco, Bredow, Thomas, Dominguez-Ariza, David, Illas, Francesc

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 386 KB

english, 2002

41

Surface-Confined Polymerization of Halogenated Polyacenes: The Case of Dibromotetracene on Ag(110)

Píš, Igor, Ferrighi, Lara, Nguyen, Thanh Hai, Nappini, Silvia, Vaghi, Luca, Basagni, Andrea, Magnano, Elena, Papagni, Antonio, Sedona, Francesco, Di Valentin, Cristiana, Agnoli, Stefano, Bondino, Fede

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 3.03 MB

english, 2016

42

Ab Initio Investigation of Polyethylene Glycol (PEG) Coating of TiO 2 Surfaces

Selli, Daniele, Di Valentin, Cristiana

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 1.63 MB

english, 2016

43

Water Multilayers on TiO 2 (101) Anatase Surface: Assessment of a DFTB-Based Method

Selli, Daniele, Fazio, Gianluca, Seifert, Gotthard, Di Valentin, Cristiana

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 1.17 MB

english, 2017

44

Water-assisted hole trapping at highly curved surface of nano-TiO 2 photocatalyst

Shirai, Kenji, Fazio, Gianluca, Sugimoto, Toshiki, Selli, Daniele, Ferraro, Lorenzo, Watanabe, Kazuya, Haruta, Mitsutaka, Ohtani, Bunsho, Kurata, Hiroki, Di Valentin, Cristiana, Matsumoto, Yoshiyasu

Journal:

Journal of the American Chemical Society

Year:

2018

Language:

english

File:

PDF, 2.49 MB

english, 2018

45

Synthesis of corrugated C-based nanostructures by Br-corannulene oligomerization.

Smerieri, Marco, Píš, Igor, Ferrighi, Lara, Nappini, Silvia, Lusuan, Angelique J., Vattuone, Luca, Vaghi, Luca, Papagni, Antonio, Magnano, Elena, Di Valentin, Cristiana, Bondino, Federica, Savio, Leti

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.51 MB

english, 2018

46

Rational design of nanosystems for simultaneous drug delivery and photodynamic therapy by quantum mechanical modeling

Kaviani, Moloud, Di Valentin, Cristiana

Journal:

Year:

2019

Language:

english

File:

PDF, 4.60 MB

english, 2019

47

Aktivierung von molekularem Sauerstoff auf MgO: Bildung von O2.− auf dünnen, trägerfixierten MgO(001)-Filmen

Anastasia Gonchar, Prof. Dr. Thomas Risse, Prof. Dr. Hans-Joachim Freund, Dr. Livia Giordano, Dr. Cristiana Di Valentin, Prof. Dr. Gianfranco Pacchioni

Journal:

Angewandte Chemie

Year:

2011

Language:

german

File:

PDF, 522 KB

german, 2011

48

Mechanism of Olefin Epoxidation by Transition Metal Peroxo Compounds

Notker Roesch, Cristiana Di Valentin, Ilya V. Yudanov

Journal:

Year:

2003

File:

PDF, 51 KB

2003

49

Electronic Structure of (Ga 1− x Zn x )N 1− x O x Photocatalyst for Water Splitting by Hybrid Hartree-Fock Density Functional Theory Methods

Di Valentin, Cristiana

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 440 KB

english, 2010

50

TiO2/graphene nanocomposites from the direct reduction of graphene oxide by metal evaporation

Favaro, Marco, Agnoli, Stefano, Di Valentin, Cristiana, Mattevi, Cecilia, Cattelan, Mattia, Artiglia, Luca, Magnano, Elena, Bondino, Federica, Nappini, Silvia, Granozzi, Gaetano

Journal:

Year:

2014

Language:

english

File:

PDF, 2.03 MB

english, 2014

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