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Cristiana Di Valentin

Full professor

Via Roberto Cozzi, 55
tel.: 02.6448.5235

web page:

Curriculum Vitae

1997: M.s. in Chemistry University of Pavia (110/110 cum laude)
2000: PhD in Chemistry University of Pavia and Technical University Munich (Germany)
2002: M.s. in Materials Science University of Milano Bicocca (70/70 cum laude)
2002: Assistant Professor University of Milano Bicocca
2003-2004-2006: Visiting scientist Princeton University (US)
2011: Nasini Medal from Italian Chemical Society
2012: Associate Professor of General and Inorganic Chemistry University of Milano Bicocca
2014: National scientific abilitation Full Professor of General and Inorganic Chemistry, Physical Chemistry
2015: ERC-Consolidator Grant 2014
since  2018: Full Professor of General and Inorganic Chemistry University of Milano Bicocca





Main Publications

1) Qui H., Gallino F., Di Valentin C.*, Wang Y.*;
Shallow donor states induced by in-diffused Cu in ZnO: a combined HREELS and hybrid DFT study.
Physical Review Letters, 2011, 106, 066401.
2) Di Valentin C.*, Selloni A.;
Bulk and surface polarons in photoexcited anatase TiO2.
Journal of Physical Chemistry Letters, 2011, 2, 2223.
3) Di Valentin C.*, Costa D.*;
Anatase TiO2 surface functionalization by Alkylphosphonic acid: A DFT+D study.
Journal of Physical Chemistry C, 2012, 116, 2819.
4) Noei H., Gallino F., Jin L., Zhao J., Di Valentin C.*, Wang Y.*; Coverage-Induced Hydrogen Transfer on ZnO Surfaces: From Ideal to Real Systems.
Angewandte Chemie, 2013, 52, 1977.
5) Di Valentin C.*, Fittipaldi D.,
Hole scavenging by organic adsorbates on the TiO2 surface: a DFT model study.
Journal of Physical Chemistry Letters 2013, 4, 1901.
6) Sezen H., Buchholz M., Nefedov A., Natzeck C., Heissler S., Di Valentin C., Woll C.*;
Probing electrons in TiO2 polaronic trap states by IR-absorption: Evidence for the existence of hydrogenic states.
Scientific Reports 2014, 4, 03808.
7) Fazio G., Ferrighi L., Di Valentin C.*,
Boron-doped graphene as active electrocatalyst of oxygen reduction reaction (ORR) at a fuel cell cathode..
Journal of Catalysis 2014, 318, 203.
8) De Angelis F., Di Valentin C., Fantacci S., Vittadini A., Selloni A.*;
Theoretical studies on anatase and less common TiO2 phases: bulk, surfaces and nanomaterials.
Chemical Reviews 2014, 114, 9708.
9) Di Valentin C.*, Ferrighi L., Fazio G.;
Theoretical studies of oxygen reactivity of free-standing and supported Boron-doped graphene.
ChemSusChem 2016, 9,1061.
10) L. Ferrighi*, M. Datteo, G. Fazio, C. Di Valentin*;
Catalysis under cover: enhanced reactivity at the interface between (doped) graphene and anatase TiO2.
J. Am. Chem. Soc. 2016, 138, 7365.



Projects & Contracts

Futuro in ricerca 2012 Principal Investigator: Beyond graphene: tailored C-layers for novel catalytic materials and green chemistry (

DECORE FP7 Local coordinator: Direct electrochemical oxidation reaction of ethanol (

Cariplo 2014 Local coordinator: Novel heterojunction-based photocatalytic materials for solar energy conversion

ERC-Consolidator (2016-2021): Smart bioinorganic hybrids for nanomedicine




Post docs:

Daniele Selli PhD

Hongsheng Liu PhD

Valentina Cantatore PhD

Moloud  Kaviani PhD

PhD students:

Gianluca Fazio

Martina Datteo

Costanza Ronchi

Daniele Perilli

HPC specialist:

Lorenzo Ferraro