Institute of Crystallography - CNR
Senior Researcher

Guagliardi Antonietta


I am a senior scientist at Institute of Crystallography (IC) of CNR, Italy, Como branch. My major research interest focuses on the development and application of experimental and modeling tools to investigate nanocrystalline materials at the atomic and nanometer scales based on X-ray total scattering, so that both Bragg and diffuse scattering are equally taken into account. On this topic, I have been coordinating an extended network of collaborations, set at the Total Scattering Laboratory (To.Sca.Lab) in Como, which includes scientists from University of Insubria and CNR, and from the Material Science Beamline of the Swiss Light Source, where total scattering experiments are carried out in the wide-angle region and where suitable data acquisition and data reduction protocols have also been developed. A major research line in the field is the modeling in reciprocal-space, based on atomistic models of nanocrystals and composites, and the use of the Debye Scattering Equation, with original contribution to the development of dedicated computational tools (Debussy Suite). Advances of this approach, together with combination of wide and small angle scattering, have been pursued through investigations of ultrasmall semiconductor nanocrystals (metal chalcogenides and metal halide perovskites), particularly from colloidal synthesis, but also metals, oxides and nanocomposites. The goal is extracting quantitative information on size- and surface-induced structural distortions, symmetry breaking, lattice strains and different kinds of defectiveness for structure-property correlation studies.

During my education and 35 years long career, I have acquired a broad background in crystallography, diffraction techniques and ab initio structure determination by Direct Methods, working in the group led by Prof. C. Giacovazzo, and contributed to the development of popular crystallographic packages (SIR92/SIR98 and EXPO) to solve crystal structures by single crystal and powder diffraction data. Since 2003, I have started setting my own research line(s) focussing on nanocrystallography and X-ray Total scattering methods, including experimental, modeling, analytical and structure-property correlation aspects. I have got a PhD in Chemistry at the University of Insubria, Italy, with a Thesis on the application of the Debye Scattering Equation on nanomaterials for investigating structure-property correlations.

I have co-authored 120 papers in peer-reviewed international journals in Crystallography, Chemistry, Material Science. H-index= 34, Sum of citations (without self-citations) > 28000 (Web of Science). Over 100 communications at National and International conferences. I have co-authored 11 book chapters and co-edited 3 books.

I have a long-standing experience in the organization of schools on fundamental crystallography and total scattering and in managing hands-on with the packages I have co-authored. I have supervised/sing the research activity of many PhD students and post-docs.

National Scientific Qualification as Full Professor, sectors 03/B1 (2019) and 03/A2 (2021).
  • Nanocrystallography, Structure, Defects, Strain, Size, Morphological and Surface characterization of nanocrystals (NCs), nanostructures, nanocomposites, multi-scale systems and disordered materials, through X-ray Total scattering methods (WAXTS, SAXS). Modelling by Debye Scattering Equation of nanocrystalline materials. Structure-property correlations at the atomic/nano scale.
  • Experimental and computational methods for Wide Angle X-ray Total Scattering and Powder Diffraction Techniques at Laboratory and Large Scale Facilities; development of protocols for WAXTS data collection, data reduction and data analysis of nanomaterials; combination of methods in reciprocal (DSE) and direct space (PDF); multiscale characterization of nanomaterials through combination of Small and wide angle X-ray scattering and combination of X-ray and Light scattering methods.
  • Crystallographic Computing, Ab initio crystal structure determination by single crystal and powder diffraction methods, Whole Powder Profile Fitting Techniques, Rietveld Method and Quantitative Phase Analysis of mixtures.


  • Università degli Studi dell’Insubria, Dipartimento di Scienza e Alta Tecnologia, Como
  • Università degli Studi di Palermo, Dipartimento di Fisica e Chimica, Palermo
  • CNR, Istituto per la Microelettronica e Microsistemi (IMM), Bologna


  • Paul Scherrer Institut, Villigen, Switzerland
  • ETHZ, Department of Chemistry and Applied Biosciences, Zurich, Switzerland
  • Aarhus University, Department of Chemistry and Interdisciplinary Nanoscience Center (iNANO), Aarhus, Denmark
  • University of Granada, Department of Inorganic Chemistry, Granada, Spain
  • Columbia University, Department of Applied Physics and Applied Mathematics, New York, USA
  • University of Toronto, Department of Electrical and Computer Engineering, Toronto, Canada
  • Stanford University, Department of Materials Science and Engineering and of Photon Science, USA
  • ISIS Neutron and Muon Source, United Kingdom
Forcing Twisted 1,7-Dibromoperylene Diimides to Flatten in the Solid State: What a Difference an Atom Makes

Konidaris, Konstantis F.; Zambra, Marco; Giannici, Francesco; Guagliardi, Antonietta; Masciocchi, Norberto

Angewandte Chemie (Int. ed., Print) (2023)

One and Two-Dimensional 1,4-Xylylenediammonium (pXDA) Lead Halides: Powders and Thin Films

García-Espejo, Gonzalo; Konidaris, Konstantis F.; Anzini, Pietro; Brenna, Stefano; Guagliardi, Antonietta; Masciocchi, Norberto

European journal of inorganic chemistry (Print) (2023)

Energy Transfer from Magnetic Iron Oxide Nanoparticles: Implications for Magnetic Hyperthermia

Tabacchi, Gloria; Armenia, Ilaria; Bernardini, Giovanni; Masciocchi, Norberto; Guagliardi, Antonietta; Fois, Ettore

ACS applied nano materials (2023)

Using Imidazolium in the Construction of Hybrid 2D and 3D Lead Bromide Pseudoperovskites

García-Espejo, Gonzalo; Konidaris, Konstantis F.; Guagliardi, Antonietta; Masciocchi, Norberto

C (Basel) (2023)

Site occupancy factors in the Debye Scattering Equation. A theoretical discussion on significance and correctness

F. Ferri, M.C. Bossuto, P. Anzini, A. Cervellino, A. Guagliardi, F. Bertolotti, N. Masciocchi

Acta crystallographica. Section A, Crystal physics, diffraction, theoretical and general crystallography (Papirform) (2023)

Molecular Design and Crystal Chemistry of Polyfluorinated Naphthalene-bis-phenylhydrazimides with Superior Thermal and Polymorphic Stability and High Solution Processability

Abbinante, Vincenzo Mirco; Zambra, Marco; García-Espejo, Gonzalo; Pipitone, Candida; Giannici, Francesco; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto

Chemistry – A European Journal (2023)

A polyfluorinated naphthalene-bis-hydrazimide for solution-grown n-type semiconducting films

M. Zambra, V.M. Abbinante, G. García-Espejo, K. Konidaris, P. Anzini, C. Pipitone, F. Giannici, M. Scagliotti, M. Rapisarda, L. Mariucci, S. Milita, A. Guagliardi, N. Masciocchi

ACS omega (2023)

Coupling to Octahedral Tilts in Halide-Perovskite Nanocrystals Induces Phonon-Mediated Attractive Interactions between Excitons

N. Yazdani, M. Bodnarchuk, F. Bertolotti, N. Masciocchi, I. Fureraj, B. Guzelturk, B. Cotts, M. Zajac, G. Rainò, M. Jansen, S. Boehme, M. Yarema, M.-F. Lin, M. Kozina, A. Reid, X. Shen, S. Weathersby, X. Wang, E. Vauthey, A. Guagliardi, M. Kovalenko, V. Wood, A. Lindenberg

Nature physics (Print) (2023)

Intrinsic Formamidinium Tin Iodide Nanocrystals by Suppressing the Sn(IV) Impurities

Dirin, Dmitry N.; Vivani, Anna; Zacharias, Marios; Sekh, Taras V.; Cherniukh, Ihor; Yakunin, Sergii; Bertolotti, Federica; Aebli, Marcel; Schaller, Richard D.; Wieczorek, Alexander; Siol, Sebastian; Cancellieri, Claudia; Jeurgens, Lars P.H.; Masciocchi, Norberto; Guagliardi, Antonietta; Pedesseau, Laurent; Even, Jacky; Kovalenko, Maksym V.; Bodnarchuk, Maryna I.

Nano letters (Print) (2023)

Strongly Confined CsPbBr3 Quantum Dots as Quantum Emitters and Building Blocks for Rhombic Superlattices

Boehme, Simon C.; Bodnarchuk, Maryna I.; Burian, Max; Bertolotti, Federica; Cherniukh, Ihor; Bernasconi, Caterina; Zhu, Chenglian; Erni, Rolf; Amenitsch, Heinz; Naumenko, Denys; Andrusiv, Hordii; Semkiv, Nazar; John, Rohit Abraham; Baldwin, Alan; Galkowski, Krzysztof; Masciocchi, Norberto; Stranks, Samuel D.; Rainò, Gabriele; Guagliardi, Antonietta; Kovalenko, Maksym V.

ACS nano (2023)

Structure and Surface Relaxation of CeO2 Nanoparticles Unveiled by Combining Real and Reciprocal Space Total Scattering Analysis

Scavini M.; Bertolotti F.; Mlloja J.; Umbri F.; Bosc A.; Cappelli S.; Checchia S.; Oliva C.; Fumagalli P.; Ceresoli D.; Longhi M.; Guagliardi A.; Coduri M.

Nanomaterials (Basel) (2022)

An Atomistic Model Describing the Structure and Morphology of Cu-Doped C-S-H Hardening Accelerator Nanoparticles

Dal Sasso G.; Dalconi M.C.; Ferrari G.; Pedersen J.S.; Tamburini S.; Bertolotti F.; Guagliardi A.; Bruno M.; Valentini L.; Artioli G.

Nanomaterials (Basel) (2022)

Modeling bismuth insertion in 1D hybrid lead halide TMSO(Pb x Bi y )I3 pseudo-perovskites

Pipitone, Candida; Ursi, Federica; Giannici, Francesco; Longo, Alessandro; Guagliardi, Antonietta; Masciocchi, Norberto; Martorana, Antonino

Nanotechnology (Bristol. Print) (2022)

Nanosized Calcium Phosphates as Novel Macronutrient Nano-Fertilizers

Carmona, Francisco J.; Guagliardi, Antonietta; Masciocchi, Norberto

Nanomaterials (Basel) (2022)

Effects of Structural and Microstructural Features on the Total Scattering Pattern of Nanocrystalline Materials

Dengo N.; Masciocchi N.; Cervellino A.; Guagliardi A.; Bertolotti F.

Nanomaterials (Basel) (2022)

Size Segregation and Atomic Structural Coherence in Spontaneous Assemblies of Colloidal Cesium Lead Halide Nanocrystals

Bertolotti F.; Vivani A.; Ferri F.; Anzini P.; Cervellino A.; Bodnarchuk M.I.; Nedelcu G.; Bernasconi C.; Kovalenko M.V.; Masciocchi N.; Guagliardi A.

Chemistry of materials (2022)

Conformationally rigid molecular and polymeric naphthalene-diimides containing C6H6N2 constitutional isomers

Abbinante, Vincenzo Mirco; Garcia-Espejo, Gonzalo; Calabrese, Gabriele; Milita, Silvia; Barba, Luisa; Marini, Diego; Pipitone, Candida; Giannici, Francesco; Guagliardi, Antonietta; Masciocchi, Norberto

Journal of materials chemistry. C (Print) (2021)

Urea-functionalized amorphous calcium phosphate nanofertilizers: optimizing the synthetic strategy towards environmental sustainability and manufacturing costs

Carmona F.J.; Dal Sasso G.; Ramirez-Rodriguez G.B.; Pii Y.; Delgado-Lopez J.M.; Guagliardi A.; Masciocchi N.

Scientific reports (Nature Publishing Group) (2021)

Development of a Scanning Chemical Vapour Deposition Reactor for the realization of patterned and non-patterned depositions: a preliminary overview

Spanu, Davide; Nemenyi, Anna; Marelli, Marcello; Binda, Gilberto; Guagliardi, Antonietta; Bertolotti, Federica; Giussani, Barbara; Recchia, Sandro

Thin solid films (Print) (2021)

Urea-doped calcium phosphate nanoparticles as sustainable nitrogen nanofertilizers for viticulture: Implications on yield and quality of pinot gris grapevines

Gaiotti, Federica; Lucchetta, Marco; Rodegher, Giacomo; Lorenzoni, Daniel; Longo, Edoardo; Boselli, Emanuele; Cesco, Stefano; Belfiore, Nicola; Lovat, Lorenzo; Delgado-López, José Manuel; Carmona, Francisco J.; Guagliardi, Antonietta; Masciocchi, Norberto; Pii, Youry

Agronomy (Basel) (2021)

Heterovalent BiIII/PbIIIonic Substitution in One-Dimensional Trimethylsulfoxonium Halide Pseudo-Perovskites (X = I, Br)

Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; García-Espejo, Gonzalo; Carlotto, Silvia; Casarin, Maurizio; Guagliardi, Antonietta; Masciocchi, Norberto

Journal of physical chemistry. C (2021)

Towards a more sustainable viticulture: foliar application of N-doped calcium phosphate nanoparticles on Tempranillo grapes

Perez-Alvarez E.P.; Ramirez-Rodriguez G.B.; Carmona F.J.; Martinez-Vidaurre J.M.; Masciocchi N.; Guagliardi A.; Garde-Cerdan T.; Delgado-Lopez J.M.

Journal of the Science of Food and Agriculture (2021)

Band Gap Narrowing in Silane-Grafted ZnO Nanocrystals. A Comprehensive Study by Wide-Angle X-ray Total Scattering Methods

Bertolotti F.; Tabacaru A.; Musat V.; Tigau N.; Cervellino A.; Masciocchi N.; Guagliardi A.

Journal of physical chemistry. C (2021)

Proton sponge lead halides containing 1D polyoctahedral chains

Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; Bertolotti, Federica; Calabrese, Gabriele; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto

CrystEngComm (Camb., Online) (2021)

On the amorphous layer in bone mineral and biomimetic apatite: A combined small- and wide-angle X-ray scattering analysis

Bertolotti F.; Carmona F.J.; Dal Sasso G.; Ramirez-Rodriguez G.B.; Delgado-Lopez J.M.; Pedersen J.S.; Ferri F.; Masciocchi N.; Guagliardi A.

Acta biomaterialia (2021)