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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

[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

6

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

7

[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

8

[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

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

Activity of Peroxo and Hydroperoxo Complexes of TiIV in Olefin Epoxidation: A Density Functional Model Study of Energetics and Mechanism

Ilya V. Yudanov, Philip Gisdakis, Cristiana Di Valentin, Notker Rösch

Journal:

European Journal of Inorganic Chemistry

Year:

1999

Language:

english

File:

PDF, 1.25 MB

english, 1999

11

Trigonal-Bipyramidal Lewis Base Adducts of Methyltrioxorhenium(VII) and Their Bisperoxo Congeners: Characterization, Application in Catalytic Epoxidation, and Density Functional Mechanistic Study

Fritz E. Kühn, Ana M. Santos, Peter W. Roesky, Eberhardt Herdtweck, Wolfgang Scherer, Philip Gisdakis, Ilya V. Yudanov, Cristiana Di Valentin, Notker Rösch

Journal:

Chemistry - A European Journal

Year:

1999

Language:

english

File:

PDF, 277 KB

english, 1999

12

First Evidence of a Single-Ion Electron Trap at the Surface of an Ionic Oxide

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

Journal:

Angewandte Chemie

Year:

2003

Language:

english

File:

PDF, 118 KB

english, 2003

13

Ungewöhnliches Schwingungsspektrum von CO auf Au1/MgO(001)/Mo(001): ein Effekt der Sonde

Martin Sterrer, Maxim Yulikov, Thomas Risse, Hans-Joachim Freund, Javier Carrasco, Francesc Illas, Cristiana Di Valentin, Livia Giordano, Gianfranco Pacchioni

Journal:

Angewandte Chemie

Year:

2006

Language:

german

File:

PDF, 172 KB

german, 2006

14

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

15

First Evidence of a Single-Ion Electron Trap at the Surface of an Ionic Oxide

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

Journal:

Angewandte Chemie International Edition

Year:

2003

Language:

english

File:

PDF, 119 KB

english, 2003

16

When the Reporter Induces the Effect: Unusual IR spectra of CO on Au1/MgO(001)/Mo(001)

Martin Sterrer, Maxim Yulikov, Thomas Risse, Hans-Joachim Freund, Javier Carrasco, Francesc Illas, Cristiana Di Valentin, Livia Giordano, Gianfranco Pacchioni

Journal:

Angewandte Chemie International Edition

Year:

2006

Language:

english

File:

PDF, 170 KB

english, 2006

17

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

18

Properties of Alkali Metal Atoms Deposited on a MgO Surface: A Systematic Experimental and Theoretical Study

Emanuele Finazzi, Cristiana Di Valentin, Gianfranco Pacchioni, Mario Chiesa, Elio Giamello, Hongjun Gao, Jichun Lian, Thomas Risse, Hans-Joachim Freund

Journal:

Chemistry - A European Journal

Year:

2008

Language:

english

File:

PDF, 338 KB

english, 2008

19

Formation of Superoxo Species by Interaction of O2 with Na Atoms Deposited on MgO Powders: A Combined Continuous-Wave EPR (CW-EPR), Hyperfine Sublevel Correlation (HYSCORE) and DFT Study

Francesco Napoli, Mario Chiesa, Elio Giamello, Gloria Preda, Cristiana Di Valentin, Gianfranco Pacchioni

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 675 KB

english, 2010

20

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

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

Journal:

Year:

2001

File:

PDF, 24 KB

2001

21

ChemInform Abstract: Mechanistic Aspects of Transition Metal Catalyzed Olefin Epoxidation from Density Functional Studies

Notker Rosch, Philip Gisdakis, Ilya V. Yudanov, Cristiana Di Valentin

Journal:

Year:

2001

File:

PDF, 26 KB

2001

22

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

23

Alkali Metal Doping of MgO: Mechanisms of Formation of Paramagnetic Surface Centers

Silvia Brazzelli, Cristiana Di Valentin, Gianfranco Pacchioni, Elio Giamello, Mario Chisa

Journal:

Year:

2003

File:

PDF, 52 KB

2003

24

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

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

Journal:

Year:

2011

File:

PDF, 19 KB

2011

25

Probing the Basicity of Regular and Defect Sites of Alkaline Earth Metal Oxide Surfaces by BF3 Adsorption: A Theoretical Analysis

Cristiana Di Valentin, Corrado Locati, Gianfranco Pacchioni

Journal:

Year:

2004

Language:

english

File:

PDF, 217 KB

english, 2004

26

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

27

Formation of Pd dimers at regular and defect sites of the MgO(1 0 0) surface: cluster model calculations

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

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 1015 KB

english, 2005

28

N-doped TiO2: Theory and experiment

Cristiana Di Valentin, Emanuele Finazzi, Gianfranco Pacchioni, Annabella Selloni, Stefano Livraghi, Maria Cristina Paganini, Elio Giamello

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1.59 MB

english, 2007

29

The 17O hyperfine structure of trapped holes photo generated at the surface of polycrystalline MgO

Mario Chiesa, Elio Giamello, Cristiana Di Valentin, Gianfranco Pacchioni

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 214 KB

english, 2005

30

Cr/Sb co-doped TiO2 from first principles calculations

Cristiana Di Valentin, Gianfranco Pacchioni, Hiroshi Onishi, Akihiko Kudo

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 548 KB

english, 2009

31

Adsorption of NO and NO2 on terrace and step sites and on oxygen vacancies of the CaO(1 0 0) surface

Cristiana Di Valentin, Alessandro Figini, Gianfranco Pacchioni

Journal:

Surface Science

Year:

2004

Language:

english

File:

PDF, 535 KB

english, 2004

32

Mixed dissociated/molecular monolayer of water on the TiO2(0 1 1)-(2 × 1) surface

T.J. Beck, Andreas Klust, Matthias Batzill, Ulrike Diebold, Cristiana Di Valentin, Antonio Tilocca, Annabella Selloni

Journal:

Surface Science

Year:

2005

Language:

english

File:

PDF, 240 KB

english, 2005

33

Reactivity of low-coordinated MgO anions towards CO: A DFT study of (CnOn+1)2− polymeric species

Cristiana Di Valentin, Emanuele Finazzi, Gianfranco Pacchioni

Journal:

Surface Science

Year:

2005

Language:

english

File:

PDF, 795 KB

english, 2005

34

Oxygen vacancies and peroxo groups on regular and low-coordinated sites of MgO, CaO, SrO, and BaO surfaces

Cristiana Di Valentin, Ricardo Ferullo, Riccardo Binda, Gianfranco Pacchioni

Journal:

Surface Science

Year:

2006

Language:

english

File:

PDF, 312 KB

english, 2006

35

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

36

Nucleation and growth of Ni clusters on regular sites and F centers on the MgO(0 0 1) surface

Cristiana Di Valentin, Livia Giordano, Gianfranco Pacchioni, Notker Rösch

Journal:

Surface Science

Year:

2003

Language:

english

File:

PDF, 243 KB

english, 2003

37

Reactivity and endo–exo Selectivity in Diels–Alder Reaction of o-Quinodimethanes. An Experimental and DFT Computational Study

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

Journal:

Year:

2000

Language:

english

File:

PDF, 701 KB

english, 2000

38

Cycloadditions of Nitrile Oxides to α,β-Unsaturated Aldehydes. Frontier Orbital Interactions and Secondary Orbital Interactions at Work in Determining Regiochemistry

Lucio Toma, Paolo Quadrelli, Giancarlo Perrini, Remo Gandolfi, Cristiana Di Valentin, Antonino Corsaro, Pierluigi Caramella

Journal:

Year:

2000

Language:

english

File:

PDF, 195 KB

english, 2000

39

Nano-assembled Pd catalysts on MgO thin films

Stéphane Abbet, Ueli Heiz, Anna Maria Ferrari, Livia Giordano, Cristiana Di Valentin, Gianfranco Pacchioni

Journal:

Thin Solid Films

Year:

2001

Language:

english

File:

PDF, 316 KB

english, 2001

40

Olefin epoxidation by mono and bisperoxo complexes of Mo(VI): a density functional model study

Ilya V. Yudanov, Cristiana Di Valentin, Philip Gisdakis, Notker Rösch

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2000

Language:

english

File:

PDF, 133 KB

english, 2000

41

Bonding of NO on NixMg1−xO powders: an EPR and computational study

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

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2003

Language:

english

File:

PDF, 198 KB

english, 2003

42

Theory of oxides surfaces, interfaces and supported nano-clusters

Fabrizio Cinquini, Cristiana Di Valentin, Emanuele Finazzi, Livia Giordano, Gianfranco Pacchioni

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2007

Language:

english

File:

PDF, 580 KB

english, 2007

43

Doping and functionalization of photoactive semiconducting metal oxides

Cristiana Di Valentin, Ulrike Diebold, Annabella Selloni

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 74 KB

english, 2007

44

Catalytic dissociation of N2O on pure and Ni-doped MgO surfaces

Andrea Scagnelli, Cristiana Di Valentin, Gianfranco Pacchioni

Journal:

Surface Science

Year:

2006

Language:

english

File:

PDF, 435 KB

english, 2006

45

EPR properties of Au atoms adsorbed on various sites of the MgO(1 0 0) surface from relativistic DFT calculations

Cristiana Di Valentin, Andrea Scagnelli, Gianfranco Pacchioni, Thomas Risse, Hans-Joachim Freund

Journal:

Surface Science

Year:

2006

Language:

english

File:

PDF, 302 KB

english, 2006

46

Structure, defects, and impurities at the rutile TiO2(0 1 1)-(2 × 1) surface: A scanning tunneling microscopy study

Olga Dulub, Cristiana Di Valentin, Annabella Selloni, Ulrike Diebold

Journal:

Surface Science

Year:

2006

Language:

english

File:

PDF, 787 KB

english, 2006

47

Origin of Photoactivity of Nitrogen-Doped Titanium Dioxide under Visible Light

Livraghi, Stefano, Paganini, Maria Cristina, Giamello, Elio, Selloni, Annabella, Di Valentin, Cristiana, Pacchioni, Gianfranco

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 95 KB

english, 2006

48

DFT Study of Hydrogen Adsorption On the Monoclinic WO 3 (001) Surface

Wang, Fenggong, Di Valentin, Cristiana, Pacchioni, Gianfranco

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 1.70 MB

english, 2012

49

Characterization of Paramagnetic Species in N-Doped TiO2 Powders by EPR Spectroscopy and DFT Calculations

Di Valentin, Cristiana, Pacchioni, Gianfranco, Selloni, Annabella, Livraghi, Stefano, Giamello, Elio

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 194 KB

english, 2005

50

Reduced and n-Type Doped TiO2: Nature of Ti3+ Species

Di Valentin, Cristiana, Pacchioni, Gianfranco, Selloni, Annabella

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 4.11 MB

english, 2009

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