Prof. Cristiana Di Valentin

Principal Investigator

Group Leader

Dipartimento di Scienza dei Materiali Università di Milano Bicocca U5 via Cozzi 55 20125 Milano Italy

Centro di Nanomedicina Università di Milano Bicocca NanoMib U28 via Asiago 60 Vedano al Lambro (MB) Italy 

+39 02 6448 5235
+39 02 6448 8210 (Monza)

Curriculum vitae 

  • since 2018: Full Professor of General and Inorganic Chemistry University of Milano Bicocca
  • since 2016: Group leader NanoQlab
  • 2015: ERC-Consolidator Grant 2014
  • 2014: National scientific abilitation Full Professor of General and Inorganic Chemistry, Physical Chemistry
  • 2012: Associate Professor of General and Inorganic Chemistry University of Milano Bicocca
  • 2011: Nasini Medal from Italian Chemical Society
  • 2007 Offer for a Chair position in `Theoretical Chemistry of Functional Materials´ TUM München (Germany)
  • 2003-2004-2006 Summer semesters: Visiting research scholar (post-doc) Princeton University (US)
  • 2002: Assistant Professor University of Milano Bicocca

  • 2002: M.s. in Materials Science University of Milano Bicocca (70/70 cum laude)
  • 2000: PhD in Chemistry University of Pavia & Technical University Munich (Germany)
  • 2000: IUSS Graduate Diploma Institute for Advanced Study of Pavia  
  • 1997: B.s. and M.s. in Chemistry University of Pavia (110/110 cum laude)
  • 1992: International Baccalaureate United World College Duino (TS)

Full Professor at Department of Materials Science University of Milano Bicocca


A.A. 2017-18:

Corso di Laurea in Scienze e Tecnologie Chimiche: Chimica Generale e Laboratorio (11 cfu)
Corso di Laurea Magistrale in Scienze e Tecnologie Chimiche: Spectroscopy and synthesis of inorganic compounds (4 cfu, in english)

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.

Author or coauthor
of 147 scientific publication on peer-reviewed international journals since 1999 (Scopus: >8000 citations and H-index 46),
of two book chapters Wiley e Kluver and
of 40 invited talks.
Guest Editor of Chemical Physics (2007) and of Topics in Current Chemistry (2014).
Prize Nasini 2011 Italian Chemical Society (Inorganic Chemistry Division).
Prizes awarded to graduate students by Institute for Advanced Study of Pavia (IUSS) in 1998, 1999 and 2000.
Prizes Mario Coggiola awarded to graduate students for outstanding research by Collegio Ghislieri Pavia in 1997, 1998 and 1999.


Research Grants

  • ERC-Consolidator (2016-2021): Smart bioinorganic hybrids for nanomedicine
  • Futuro in ricerca 2012 (2013-2017) Principal Investigator: Beyond graphene: tailored C-layers for novel catalytic materials and green chemistry (
  • DECORE FP7 (2012-2017) Local coordinator: Direct electrochemical oxidation reaction of ethanol (
  • Cariplo 2014 (2014-2016) Local coordinator: Novel heterojunction-based photocatalytic materials for solar energy conversion
  • Cariplo 2009 (2010-2012) Principal Investigator: Development of second generation photocatalysts for energy
  • HPC-Europa2 Transnational Access (2010): Biocompatibility at the atomic scale: phosphonates SAMs  on TiO2 surfaces
  • CNR Short Mobility Grant (2006): Computational study of photoactivity and reactivity of N-doped TiO2 surfaces
  • HPC-Europa Transnational Access (2004): NO reactivity on CaO(001) surface by ab initio molecular dynamics  
  • MIUR Young researcher grant (2002): Structure of inorganic materials and their surface reactivity
  • MIUR Young researcher grant (2000): Catalysis of O transfer reactions by transition metal peroxo complexes


Computational Grants

  • CINECA LISA 2014/2015 Chemical reactivity on carbon based catalysts for fuel cells
  • CINECA ISCRAB 2014/2015 Investigating chemically modified graphene as an electrocatalyst material for fuel cells
  • CINECA LISA 2013/2014 Design of solar-light active photocatalysts
  • CINECA ISCRAB 2013/2014 Beyond graphene: tailored C-layers for novel catalytic materials and green chemistry

Prof. Cristiana Di Valentin
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