Anna Maria Ferrari

University Name

Italy

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Research Interests

Materials Chemistry

100%

Condensed Matter Physics

100%

Materials Science

70%

Solid State Physics

50%

Electronic Structure

50%

Silicon-air Battery

40%

Semiconductor Physics

40%

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Articles19

Atomic-Scale View of Water Chemistry on Nanostructured Iron Oxide Films

Article Link

Year:

2024

A computational study of the negative LiIn modified anode and its interaction with β-Li3PS4 solid–electrolyte for battery applications

Article Link

Year:

2024

DFT study of the moiré pattern of FeO monolayer on Au(111)

Article Link

Year:

2024

Stability and Formation of the Li3PS4/Li, Li3PS4/Li2S, and Li2S/Li Interfaces: A Theoretical Study

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Year:

2023

CRYSTALpytools: A Python infrastructure for the CRYSTAL code

Article Link

Year:

2023

Stability and Formation of the Li3PS4/Li, Li3PS4/Li2S, and Li2S/Li Interfaces: A Theoretical Study

Article Link

Year:

2023

Understanding Ionic Diffusion Mechanisms in Li2S Coatings for Solid-State Batteries: Development of a Tailored Reactive Force Field for Multiscale Simulations

Article Link

Year:

2023

Understanding Ionic Diffusion Mechanisms in Li2S Coatings for Solid-State Batteries: Development of a Tailored Reactive Force Field for Multiscale Simulations

Article Link

Year:

2023

Computational Understanding of Delithiation, Overlithiation, and Transport Properties in Disordered Cubic Rock-Salt Type Li2TiS3

Article Link

Year:

2023

Computational Understanding of Delithiation, Overlithiation, and Transport Properties in Disordered Cubic Rock-Salt Type Li2TiS3

Article Link

Year:

2023

Computational Characterization of β-Li3PS4 Solid Electrolyte: From Bulk and Surfaces to Nanocrystals

Article Link

Year:

2022

Disordered Rock-Salt Type Li2TiS3 as Novel Cathode for LIBs: A Computational Point of View

Article Link

Year:

2022

Characterization of the negatively charged NV defect through the spin density distribution and the hyperfine coupling constants

Article Link

Year:

2022

Effect of Internal Donors on Raman and IR Spectroscopic Fingerprints of MgCl2/TiCl4 Nanoclusters Determined by Machine Learning and DFT

Article Link

Year:

2022

The NV0 defects in diamond: A quantum mechanical characterization through its vibrational and Electron Paramagnetic Resonance spectroscopies

Article Link

Year:

2022

From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li6PS5Cl argyrodite superionic conductor

Article Link

Year:

2022

Quantum mechanical simulation of various phases of KVF3 perovskite

Article Link

Year:

2022

A Review of Mechanical and Chemical Sensors for Automotive Li-Ion Battery Systems

Article Link

Year:

2022

Monomeric (VO2+) and dimeric mixed valence (V2O33+) vanadium species at the surface of shape controlled TiO2 anatase nano crystals

Article Link

Year:

2022

Collaborators8

ROBERTO DOVESI

PROFESSORE ORDINARIO

Università degli Studi di Torino

ITALY

Alessandro Erba

Università degli Studi di Torino

ITALY

Carlo Nervi

University of Turin

ITALY

Francesco Sedona

University of Padova

ITALY

Lorenzo Maschio

Professore Associato

Università degli Studi di Torino

ITALY

Mauro Francesco Sgroi

University of Turin

ITALY

Maddalena D'Amore

Università degli Studi di Torino

ITALY

Silvia Casassa

University of Turin

ITALY

How do Indian students reach out?

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Anna Maria Ferrari

How do Indian students reach out?

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Research Interests

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Articles19

Atomic-Scale View of Water Chemistry on Nanostructured Iron Oxide Films

A computational study of the negative LiIn modified anode and its interaction with β-Li3PS4 solid–electrolyte for battery applications

DFT study of the moiré pattern of FeO monolayer on Au(111)

Stability and Formation of the Li<sub>3</sub>PS<sub>4</sub>/Li, Li<sub>3</sub>PS<sub>4</sub>/Li<sub>2</sub>S, and Li<sub>2</sub>S/Li Interfaces: A Theoretical Study

CRYSTALpytools: A Python infrastructure for the CRYSTAL code

Stability and Formation of the Li<sub>3</sub>PS<sub>4</sub>/Li, Li<sub>3</sub>PS<sub>4</sub>/Li<sub>2</sub>S, and Li<sub>2</sub>S/Li Interfaces: A Theoretical Study

Understanding Ionic Diffusion Mechanisms in Li2S Coatings for Solid-State Batteries: Development of a Tailored Reactive Force Field for Multiscale Simulations

Understanding Ionic Diffusion Mechanisms in Li<sub>2</sub>S Coatings for Solid-State Batteries: Development of a Tailored Reactive Force Field for Multiscale Simulations

Computational Understanding of Delithiation, Overlithiation, and Transport Properties in Disordered Cubic Rock-Salt Type Li2TiS3

Computational Understanding of Delithiation, Overlithiation, and Transport Properties in Disordered Cubic Rock-Salt Type Li<sub>2</sub>TiS<sub>3</sub>

Computational Characterization of β-Li3PS4 Solid Electrolyte: From Bulk and Surfaces to Nanocrystals

Disordered Rock-Salt Type Li2TiS3 as Novel Cathode for LIBs: A Computational Point of View

Characterization of the negatively charged NV defect through the spin density distribution and the hyperfine coupling constants

Effect of Internal Donors on Raman and IR Spectroscopic Fingerprints of MgCl2/TiCl4 Nanoclusters Determined by Machine Learning and DFT

The NV0 defects in diamond: A quantum mechanical characterization through its vibrational and Electron Paramagnetic Resonance spectroscopies

From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li6PS5Cl argyrodite superionic conductor

Quantum mechanical simulation of various phases of KVF3 perovskite

A Review of Mechanical and Chemical Sensors for Automotive Li-Ion Battery Systems

Monomeric (VO2+) and dimeric mixed valence (V2O33+) vanadium species at the surface of shape controlled TiO2 anatase nano crystals

Collaborators8

ROBERTO DOVESI

Alessandro Erba

Carlo Nervi

Francesco Sedona

Lorenzo Maschio

Mauro Francesco Sgroi

Maddalena D'Amore

Silvia Casassa

How do Indian students reach out?