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Alessandro Fortunelli

Alessandro Fortunelli

Visiting Guest, CNR

2012 - Present
Visiting Scholars
27Publications
2.7KCitations
Publication Timeline
2014: 1 paper
2015: 2 papers
2016: 3 papers
2017: 0 papers
2018: 2 papers
2019: 4 papers
2020: 2 papers
2021: 5 papers
2022: 4 papers
2023: 1 paper
2024: 2 papers
2025: 1 paper
20142025

Scuola Normale Superiore, Pisa, Italy (MSc and PhD)

Alessandro Fortunelli is Research Director at the National Research Council (CNR) in Pisa, Italy. He graduated in Chemistry in 1983 and received his Ph.D. in Chemistry in 2012, both at Scuola Normale Superiore. He has been at CNR since 1984, was a visiting scientist at the University of California at Los Angeles (UCLA, 2001) and at Caltech (2002-2003), and is a visiting scientist at Caltech with Bill Goddard since 2012. He was involved with leadership positions in various national and EU research projects within FP6, FP7, H2020 and Horizon Europe programmes. He is co-author of more than 340 refereed publications and peer reviewer for 22 international journals. His research goal is a predictive computational science of structural, catalytic, magneto-optical, mechanical, and transport properties, with applications in the field of energy and environment.

Publications

2025

1 paper

Revolutionizing Ammonia Synthesis: FeCoNiAlSi High-Entropy Alloy Catalyst for Low-Pressure, Low-Temperature Applications

Yidi Shen, Luca Sementa, Duane D. Johnson, Alessandro Fortunelli, Qi An, et al.

#1695·2025·J. Am. Chem. Soc.·25

2024

2 papers

Functionalized Amorphous Carbon Materials via Reactive Molecular Dynamics Simulations.

G. Conter, S. Monti, G. Barcaro, William A. Goddard III, Alessandro Fortunelli

#1644·2024·ACS Appl. Mater. Interfaces·7

Dynamical Performance of Graphene Aerogel with Ductile and Brittle Characteristics

Kailu Xiao, Wei Zhang, Mingquan Zhu, Qiuyun Yin, Alessandro Fortunelli, et al.

#1624·2024·Adv. Funct. Mater.·8

2023

1 paper

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

Maddalena D'Amore, Moon Young Yang, Tridip Das, Anna Maria Ferrari, Minho M. Kim, et al.

#1602·2023·J. Phys. Chem. C·7

2022

4 papers

Low temperature synthesis of new highly graphitized N-doped carbon for Pt fuel cell supports, satisfying DOE 2025 durability standards for both catalyst and support

Ha-Young Lee, Ted H. Yu, Cheol-Hwan Shin, Alessandro Fortunelli, Sang Gu Ji, et al.

#1550·2022·Applied Catalysis B: Environment and Energy·73

Machine Learning Predicts the X-ray Photoelectron Spectroscopy of the Solid Electrolyte Interface of Lithium Metal Battery

Qintao Sun, Yan Xiang, Yue Liu, Liang Xu, Tianle Leng, et al.

#1538·2022·J. Phys. Chem. Lett.·60

Experimental Sabatier plot for predictive design of active and stable Pt-alloy oxygen reduction reaction catalysts

Jin Huang, Luca Sementa, Zeyan Liu, Giovanni Barcaro, Miao Feng, et al.

#1521·2022·Nature Catalysis·189

Reaction Mechanisms, Kinetics, and Improved Catalysts for Ammonia Synthesis from Hierarchical High Throughput Catalyst Design

Jon Fuller, Qi An, Alessandro Fortunelli, William A. Goddard III

#1513·2022·Accounts of Chemical Research·59

2021

5 papers

Vibrational Spectroscopy Signatures of Catalytically Relevant Configurations for N₂ Reduction to NH₃ on Fe Surfaces via Density Functional Theory

Jon Fuller, Alessandro Fortunelli, William A. Goddard III, Qi An

#1497·2021·J. Phys. Chem. C·4

Understanding Reaction Networks through Controlled Approach to Equilibrium Experiments Using Transient Methods

Yixiao Wang, Jin Qian, Zongtang Fang, M. Ross Kunz, Gregory Yablonsky, et al.

#1479·2021·J. Am. Chem. Soc.·20

Predictions of Chemical Shifts for Reactive Intermediates in CO₂ Reduction under Operando Conditions

Hao Yang, Fabio Ribeiro Negreiros, Qintao Sun, Miao Xie, Luca Sementa, et al.

#1475·2021·ACS Appl. Mater. Interfaces·18

Diverse Phases of Carbonaceous Materials from Stochastic Simulations

Susanna Monti, Giovanni Barcaro, William A. Goddard III, Alessandro Fortunelli

#1420·2021·ACS Nano·18

Controlling the Shapes of Nanoparticles by Dopant-Induced Enhancement of Chemisorption and Catalytic Activity: Application to Fe-Based Ammonia Synthesis

Qi An, Molly Mcdonald, Alessandro Fortunelli, William A. Goddard III

#1406·2021·ACS Nano·17