All Stories

  1. Quantum-assisted machine learning screening for sustainable anode discovery in lithium-ion batteries

    Article • Journal of Power Sources, October 2025, Elsevier

    Dr Marco Fronzi

  2. Strain-Dependent Photodetection with Layered InSe Photoconductors

    Article • Nano Letters, June 2025, American Chemical Society (ACS)

    Dr Marco Fronzi, Dr Brett Cameron Johnson

  3. Advances in van der Waals thermoelectric materials: prospects and challenges

    Article • RSC Applied Interfaces, January 2025, Royal Society of Chemistry

    Dr Marco Fronzi

  4. Advances in Thermoelectric Materials—Bridging the Gap Between Discovery and Application

    Article • Inorganics, October 2024, MDPI AG

    Dr Marco Fronzi

  5. Surface-Enhanced Raman Spectroscopy Using a Silver Nanostar Substrate for Neonicotinoid Pesticides Detection

    Article • Sensors, January 2024, MDPI AG

    Dr Marco Fronzi

  6. Silicon-Based Anodes for Li Batteries: Thermodynamics, Structural Analysis, and Li Diffusion

    Article • The Journal of Physical Chemistry Letters, November 2023, American Chemical Society (ACS)

    Dr Marco Fronzi

  7. A Predictive Model for Monolayer‐Selective Metal‐Mediated MoS2 Exfoliation Incorporating Electrostatics

    Article • Advanced Materials Interfaces, October 2023, Wiley

    Professor Dave A Winkler, Dr Marco Fronzi, Dr Peter C Sherrell

  8. Atomically Doped 2D Black Phosphorus for Efficient and Stable Perovskite Solar Cells

    Article • Small Structures, October 2023, Wiley

    Dr Marco Fronzi

  9. Evaluation of Machine Learning Interatomic Potentials for Gold Nanoparticles—Transferability towards Bulk

    Article • Nanomaterials, June 2023, MDPI AG

    Dr Marco Fronzi

  10. In-situ scanning transmission electron microscopy study of Al-amorphous SiO2 layer-SiC interface

    Article • Journal of Materials Science, January 2023, Springer Science + Business Media

    Dr Marco Fronzi

  11. Correction to: Modification of a first‑generation solid oxide fuel cell cathode with Co3O4 nanocubes having selectively exposed crystal planes

    Article • Materials for Renewable and Sustainable Energy, November 2022, Springer Science + Business Media

    Dr Marco Fronzi

  12. Evaluation of Machine Learning Interatomic Potentials for the Properties of Gold Nanoparticles

    Article • Nanomaterials, November 2022, MDPI AG

    Dr Marco Fronzi

  13. High-Pressure Synthesis of High-Entropy Metal Disulfides with Pyrite-Type Structure

    Article • Journal of the Physical Society of Japan, August 2022, Physical Society of Japan

    Dr Marco Fronzi

  14. Energy Interplay in Materials: Unlocking Next‐Generation Synchronous Multisource Energy Conversion with Layered 2D Crystals

    Article • Advanced Materials, August 2022, Wiley

    Dr Marco Fronzi, Professor Dave A Winkler, Dr Peter C Sherrell

  15. A bright future for engineering piezoelectric 2D crystals

    Article • Chemical Society Reviews, January 2022, Royal Society of Chemistry

    Dr Marco Fronzi, Professor Dave A Winkler, Dr Peter C Sherrell

  16. Unusual ferrimagnetic ground state in rhenium ferrite

    Article • The European Physical Journal Plus, December 2021, Springer Science + Business Media

    Dr Marco Fronzi

  17. Active Learning in Bayesian Neural Networks for Bandgap Predictions of Novel Van der Waals Heterostructures

    Article • Advanced Intelligent Systems, August 2021, Wiley

    Professor Dave A Winkler, Dr Marco Fronzi, Dr Olexandr Isayev, Dr Peter C Sherrell

  18. Muon-Spin Motion at the Crossover Regime between Gaussian and Lorentzian Distribution of Magnetic Fields

    Article • Progress of Theoretical and Experimental Physics, August 2021, Oxford University Press (OUP)

    Dr Marco Fronzi

  19. Tailoring electronic structure of perovskite cathode for proton-conducting solid oxide fuel cells with high performance

    Article • Journal of Power Sources, March 2021, Elsevier

    Dr Marco Fronzi

  20. Perovskite ceramic oxide as an efficient electrocatalyst for nitrogen fixation

    Article • International Journal of Hydrogen Energy, March 2021, Elsevier

    Dr Marco Fronzi

  21. High Throughput Screening of Millions of van der Waals Heterostructures for Superlubricant Applications

    Article • Advanced Theory and Simulations, September 2020, Wiley

    Dr Marco Fronzi, Professor Dave A Winkler, Dr Olexandr Isayev

  22. A review of recent progress in thermoelectric materials through computational methods

    Article • Materials for Renewable and Sustainable Energy, August 2020, Springer Science + Business Media

    Dr Marco Fronzi, Dr Hussein Assadi, Dr Julio Gutiérrez Moreno

  23. Role of knock-on in electron beam induced etching of diamond

    Article • Carbon, August 2020, Elsevier

    Dr Marco Fronzi, Dr Hussein Assadi

  24. High-Performance Thermoelectric Oxides Based on Spinel Structure

    Article • ACS Applied Energy Materials, June 2020, American Chemical Society (ACS)

    Dr Marco Fronzi, Dr Hussein Assadi, Dr Julio Gutiérrez Moreno

  25. Evaluating the effect of Pr-doping on the performance of strontium-doped lanthanum ferrite cathodes for protonic SOFCs

    Article • Ceramics International, February 2020, Elsevier

    Dr Marco Fronzi

  26. Suppression of magnetism and Seebeck effect in Na0.875CoO2 induced by SbCo dopants

    Article • Materials for Renewable and Sustainable Energy, January 2020, Springer Science + Business Media

    Dr Marco Fronzi, Dr Hussein Assadi

  27. Improving the sinterability of CeO2 by using plane-selective nanocubes

    Article • Journal of the European Ceramic Society, November 2019, Elsevier

    Dr Marco Fronzi

  28. Modification of a first-generation solid oxide fuel cell cathode with Co3O4 nanocubes having selectively exposed crystal planes

    Article • Materials for Renewable and Sustainable Energy, August 2019, Springer Science + Business Media

    Dr Marco Fronzi

  29. Structure, Stability and Water Adsorption on Ultra-Thin TiO2 Supported on TiN

    Article • July 2019, American Chemical Society (ACS)

    Dr Marco Fronzi, Dr Julio Gutiérrez Moreno

  30. Structure, Stability and Water Adsorption on Ultra-Thin TiO2 Supported on TiN

    Article • July 2019, American Chemical Society (ACS)

    Dr Marco Fronzi

  31. Structure, Stability and Water Adsorption on Ultra-Thin TiO2 Supported on TiN

    Article • July 2019, American Chemical Society (ACS)

    Dr Julio Gutiérrez Moreno, Dr Marco Fronzi

  32. Understanding the interactions of water with ceria surfaces

    Article • Applied Surface Science, June 2019, Elsevier

    Dr, Dorian Hanaor, Dr Marco Fronzi, Dr Hussein Assadi

  33. Activation of CO2 at chromia-nanocluster-modified rutile and anatase TiO2

    Article • Catalysis Today, April 2019, Elsevier

    Dr Marco Fronzi

  34. DFT investigation on the adsorption of H2O at ultra-thin TiO2 layers supported on TiN

    Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

    Dr Julio Gutiérrez Moreno, Dr Marco Fronzi

  35. Tailoring cations in a perovskite cathode for proton-conducting solid oxide fuel cells with high performance

    Article • Journal of Materials Chemistry A, January 2019, Royal Society of Chemistry

    Dr Marco Fronzi

  36. Impressive performance of proton-conducting solid oxide fuel cells using a first-generation cathode with tailored cations

    Article • Journal of Materials Chemistry A, January 2019, Royal Society of Chemistry

    Dr Marco Fronzi

  37. Ab Initio Investigation of Water Adsorption and Hydrogen Evolution on Co9S8 and Co3S4 Low-Index Surfaces

    Article • ACS Omega, September 2018, American Chemical Society (ACS)

    Dr Marco Fronzi, Dr Hussein Assadi

  38. Design of Photocatalysts for CO2 Reduction from First Principles

    Article • July 2018, Institute of Electrical & Electronics Engineers (IEEE)

    Dr Marco Fronzi

  39. Stability of Adsorbed Water on TiO2–TiN Interfaces. A First-Principles and Ab Initio Thermodynamics Investigation

    Article • The Journal of Physical Chemistry C, June 2018, American Chemical Society (ACS)

    Dr Julio Gutiérrez Moreno, Dr Marco Fronzi

  40. Activation of CO2 at Chromia-Nanocluster-Modified Rutile and Anatase TiO2

    Article • March 2018, American Chemical Society (ACS)

    Dr Marco Fronzi

  41. Activation of CO2 at Chromia-Nanocluster-Modified Rutile and Anatase TiO2

    Article • March 2018, American Chemical Society (ACS)

    Dr Marco Fronzi

  42. Stability of Adsorbed Water on TiO2-TiN Interfaces. A First Principles and Ab Initio Thermodynamics Investigation.

    Article • March 2018, American Chemical Society (ACS)

    Dr Marco Fronzi, Dr Julio Gutiérrez Moreno

  43. Stability of Adsorbed Water on TiO2-TiN Interfaces. A First Principles and Ab Initio Thermodynamics Investigation.

    Article • March 2018, American Chemical Society (ACS)

    Dr Marco Fronzi

  44. Deterministic Nanopatterning of Diamond Using Electron Beams

    Article • ACS Nano, January 2018, American Chemical Society (ACS)

    Dr Marco Fronzi

  45. High-performance Na ion cathodes based on the ubiquitous and reversible O redox reaction

    Article • Journal of Materials Chemistry A, January 2018, Royal Society of Chemistry

    Dr Marco Fronzi, Dr Hussein Assadi, Professor Yasuteru Shigeta

  46. Magnetic properties of stoichiometric and defective Co9S8

    Article • Physical Chemistry Chemical Physics, January 2018, Royal Society of Chemistry

    Dr Marco Fronzi

  47. Efficiency Enhancement of Single-Walled Carbon Nanotube-Silicon Heterojunction Solar Cells Using Microwave-Exfoliated Few-Layer Black Phosphorus

    Article • Advanced Functional Materials, November 2017, Wiley

    Dr Marco Fronzi

  48. First-Principles Analysis of the Stability of Water on the Oxidised and Reduced CuO(111) Surface

    Article • October 2017, American Chemical Society (ACS)

    Dr Marco Fronzi

  49. Surface Modification of Perfect and Hydroxylated TiO2 Rutile (110) and Anatase (101) with Chromium Oxide Nanoclusters

    Article • ACS Omega, October 2017, American Chemical Society (ACS)

    Dr Marco Fronzi

  50. First-principles analysis of the stability of water on oxidised and reduced CuO(111) surfaces

    Article • RSC Advances, January 2017, Royal Society of Chemistry

    Dr Marco Fronzi

  51. First-principles investigation of quantum emission from hBN defects

    Article • Nanoscale, January 2017, Royal Society of Chemistry

    Dr Marco Fronzi

  52. First-principles molecular dynamics simulations of proton diffusion in cubic BaZrO $$_3$$ 3 perovskite under strain conditions

    Article • Materials for Renewable and Sustainable Energy, August 2016, Springer Science + Business Media

    Dr Marco Fronzi

  53. ChemInform Abstract: Design of Novel Visible Light Active Photocatalyst Materials: Surface Modified TiO2

    Article • ChemInform, August 2016, Wiley

    Dr Marco Fronzi

  54. Reactivity of metal oxide nanocluster modified rutile and anatase TiO2: Oxygen vacancy formation and CO2 interaction

    Article • Applied Catalysis A General, July 2016, Elsevier

    Dr Marco Fronzi

  55. Design of Novel Visible Light Active Photocatalyst Materials: Surface Modified TiO2

    Article • Advanced Materials, February 2016, Wiley

    Dr Marco Fronzi

  56. Metal oxide nanocluster-modified TiO2as solar activated photocatalyst materials

    Article • Journal of Physics Condensed Matter, January 2016, Institute of Physics Publishing

    Dr Marco Fronzi

  57. Atomistic investigation of vacancy assisted diffusion mechanism in Mg ternary (Mg–RE–M) alloys

    Article • Computational Materials Science, February 2015, Elsevier

    Dr Marco Fronzi

  58. CHx adsorption (x = 1–4) and thermodynamic stability on the CeO2(111) surface: a first-principles investigation

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Professor Enrico Traversa, Dr Marco Fronzi

  59. Effect of alloying elements on in-plane ordering and disordering of solute clusters in Mg-based long-period stacking ordered structures: A first-principles analysis

    Article • Scripta Materialia, October 2013, Elsevier

    Dr Marco Fronzi

  60. Growth mechanisms of ceria- and zirconia-based epitaxial thin films and hetero-structures grown by pulsed laser deposition

    Article • Materials for Renewable and Sustainable Energy, December 2012, Springer Science + Business Media

    Professor Enrico Traversa, Dr Marco Fronzi

  61. Ab initio investigation of defect formation at ZrO 2 -CeO 2 interfaces

    Article • Physical Review B, August 2012, American Physical Society (APS)

    Professor Enrico Traversa, Dr Marco Fronzi

  62. ZrO2-CeO2 Interface Properties: A First-Principle Investigation

    Article • ECS Meeting Abstracts, March 2011, The Electrochemical Society

    Dr Marco Fronzi

  63. ZrO

    Article • January 2011, The Electrochemical Society

    Professor Enrico Traversa, Dr Marco Fronzi

  64. Water adsorption on the stoichiometric and reduced CeO2(111) surface: a first-principles investigation

    Article • Physical Chemistry Chemical Physics, January 2009, Royal Society of Chemistry

    Professor Enrico Traversa, Dr Marco Fronzi

  65. Stability and morphology of cerium oxide surfaces in an oxidizing environment: A first-principles investigation

    Article • The Journal of Chemical Physics, January 2009, American Institute of Physics

    Professor Enrico Traversa, Dr Marco Fronzi

  66. Length-dependent resistance model for a single-wall carbon nanotube

    Article • Physica E Low-dimensional Systems and Nanostructures, October 2008, Elsevier

    Dr Marco Fronzi

  67. Synthesis and Characterization of Nanometric Samaria Doped Ceria (SDC) Microstructure Sintered by Fast Firing Process

    Article • ECS Meeting Abstracts, February 2006, The Electrochemical Society

    Dr Marco Fronzi

  68. Synthesis and Densification of Nanometric Ce0.8Sm0.2O1.9-δ

    Article • MRS Proceedings, January 2006, Springer Science + Business Media

    Professor Enrico Traversa, Dr Marco Fronzi

  69. Synthesis, Characterization, and Densification of Samaria Doped Ceria Ultra-Fine Powders

    Article • January 2006, The Electrochemical Society

    Professor Enrico Traversa, Dr Marco Fronzi