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

by Marco Fronzi, Michael Nolan
Published 2017-10-01

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

by Marco Fronzi, Roger D. Amos, Rika Kobayashi
Published 2023-06-01

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

by Norhayati Abu Bakar, Marco Fronzi, Joseph George Shapter
Published 2024-01-01

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

by M. H. N. Assadi, Paolo Mele, Marco Fronzi
Published 2020-01-01

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

by Marco Fronzi, M. Hussein N. Assadi, Michael J. Ford
Published 2018-09-01

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

by Marco Fronzi, Yoshitaka Tateyama, Nicola Marzari, Michael Nolan, Enrico Traversa
Published 2016-08-01

A review of recent progress in thermoelectric materials through computational methods

by J. Julio Gutiérrez Moreno, Jiang Cao, Marco Fronzi, M. Hussein N. Assadi
Published 2020-08-01

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

by Xi Xu, Chao Wang, Marco Fronzi, Xuehua Liu, Lei Bi, X. S. Zhao
Published 2019-08-01

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

by Marco Fronzi, Roger D. Amos, Rika Kobayashi, Naoki Matsumura, Kenta Watanabe, Rafael K. Morizawa
Published 2022-11-01

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

by Alexander Corletto, Marco Fronzi, Alexis Krywula Joannidis, Peter C. Sherrell, Michael J. Ford, David A. Winkler, Joseph G. Shapter, James Bullock, Amanda V. Ellis
Published 2024-01-01

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

by Marco Fronzi, Olexandr Isayev, David A. Winkler, Joseph G. Shapter, Amanda V. Ellis, Peter C. Sherrell, Nick A. Shepelin, Alexander Corletto, Michael J. Ford
Published 2021-11-01

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

by Abdulaziz S. R. Bati, Purevlkham Myagmarsereejid, Marco Fronzi, Kaicai Fan, Porun Liu, Yu Lin Zhong, Paul L. Burn, Ian R. Gentle, Paul E. Shaw, Munkhbayar Batmunkh
Published 2024-02-01