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FORTUNELLI, ALESSANDRO

FORTUNELLI, ALESSANDRO  

Istituto di Chimica dei Composti OrganoMetallici - ICCOM -  

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Titolo Data di pubblicazione Autore(i) File
Atomistic Modeling of Spinel Oxide Particle Shapes and Reshaping under OER Conditions 1-gen-2024 Avcı, Öyküm N.; Sementa, Luca; Fortunelli, Alessandro
Combined experimental and computational study of the photoabsorption of the monodoped and nondoped nanoclusters Au24Pt(SR)18, Ag24Pt(SR)18, and Ag25(SR)18 1-gen-2024 D'Antoni, Pierpaolo; Sementa, Luca; Bonacchi, Sara; Reato, Mattia; Maran, Flavio; Fortunelli, Alessandro; Stener, Mauro
Covalent surface modification of single-layer graphene-like BC6N nanosheets with reactive nitrenes for selective ammonia sensing via DFT modeling 1-gen-2024 Baachaoui, Sabrine; Hajlaoui, Rabiaa; Aoun, Sami Ben; Fortunelli, Alessandro; Sementa, Luca; Raouafi, Noureddine
Dichroism of plasmonic chiral nanoalloys by rational design 1-gen-2024 D'Antoni, P.; Toffoli, D.; Fronzoni, G.; Stener, M.; Sementa, L.; Fortunelli, A.
Dynamical Performance of Graphene Aerogel with Ductile and Brittle Characteristics 1-gen-2024 Xiao, Kailu; Zhang, Wei; Zhu, Mingquan; Yin, Qiuyun; Fortunelli, Alessandro; Goddard, William A.; Wu, Xianqian
Embedded oxide clusters stabilize sub-2 nm Pt nanoparticles for highly durable fuel cells 1-gen-2024 Peng, Bosi; Liu, Zeyan; Sementa, Luca; Jia, Qingying; Sun, Qiang; Segre, Carlo U.; Liu, Ershuai; Xu, Mingjie; Tsai, Yu-Han; Yan, Xingxu; Zhao, Zipeng; Huang, Jin; Pan, Xiaoqing; Duan, Xiangfeng; Fortunelli, Alessandro; Huang, Yu
First-Principles Design of Ohmic FET Devices from 2D Transition Metal Dichalcogenides 1-gen-2024 Golsanamlou, Zahra; Fortunelli, Alessandro; Sementa, Luca
Parametric and sensitive analysis of Pd-Ag membrane reactor performance in biogas reforming to generate decarbonized hydrogen by Computational Fluid Dynamic-Response Surface Methodology 1-gen-2024 Ghasemzadeh, K.; Torabi, T.; Yousefi Amiri, T.; Fortunelli, A.; Iulianelli, A.
A Resolution of Identity Technique to Speed up TDDFT with Hybrid Functionals: Implementation and Application to the Magic Cluster Series Au8n+4(SC6H5)4n+8 (n = 3-6) 1-gen-2023 D'Antoni, Pierpaolo; Medves, Marco; Toffoli, Daniele; Fortunelli, Alessandro; Stener, Mauro; Visscher, Lucas
Atomistic mechanisms underlying plastic flow at ultralow yield stress in ductile carbon aerogels 1-gen-2023 Conter, Giorgio; Xiao, Kailu; Wu, Xianqian; A Goddard, William; Iii, ; Fortunelli, Alessandro
Cyclohexane Oxidative Dehydrogenation on Graphene-Oxide-Supported Cobalt Ferrite Nanohybrids: Effect of Dynamic Nature of Active Sites on Reaction Selectivity 1-gen-2023 A Kadam, Shashikant; Sandoval, Stefania; Bastl, Zdenek; Simkovicova, Karolina; Kvitek, Libor; Jasik, Juraj; Elzbieta Olszowka, Joanna; Valtera, Stanislav; Vaidulych, Mykhailo; Moravkova, Jaroslava; Sazama, Petr; Kubicka, David; Travert, Arnaud; A van Bokhoven, Jeroen; Fortunelli, Alessandro; Kleibert, Armin; Kalbac, Martin; Vajda, Stefan
Does Water Play a Crucial Role in the Growth of ZnO Nanoclusters in ZnO/Cu Catalyst? 1-gen-2023 Dastider, Sg; Panigrahi, Ar; Banerjee, A; Haldar, Kk; Fortunelli, A; Mondal, K
Electrostatic tuning of transmission in NbS2/WSe2 two-dimensional lateral heterostructures: A computational study 1-gen-2023 Kumari, Poonam; Golsanamlou, Zahra; Smogunov, Alexander; Sementa, Luca; Fortunelli, Alessandro
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 1-gen-2023 Lee, Hy; Yu, Th; Shin, Ch; Fortunelli, A; Ji, Sg; Kim, Y; Kang, Th; Lee, Bj; Merinov, Bv; Goddard, Wa; Choi, Ch; Yu, Js
Oxidation and de-alloying of PtMn particle models: a computational investigation 1-gen-2023 Roongcharoen, T; Yang, X; Han, S; Sementa, L; Vegge, T; Hansen, Ha; Fortunelli, A
Substitutional p-Type Doping in NbS2-MoS2 Lateral Heterostructures Grown by MOCVD 1-gen-2023 Wang, Z; Tripathi, M; Golsanamlou, Z; Kumari, P; Lovarelli, G; Mazziotti, F; Logoteta, D; Fiori, G; Sementa, L; Marega, Gm; Ji, Hg; Zhao, Y; Radenovic, A; Iannaccone, G; Fortunelli, A; Kis, A
Tailoring Graphene Functionalization with Organic Residues for Selective Sensing of Nitrogenated Compounds: Structure and Transport Properties via QM Simulations 1-gen-2023 Baachaoui, Sabrine; Sementa, Luca; Hajlaoui, Rabiaa; Aldulaijan, Sarah; Fortunelli, Alessandro; Dhouib, Adnene; Raouafi, Noureddine
The Conformational Dynamics of the Ligands Determines the Electronic Circular Dichroism of the Chiral Au38(SC2H4Ph)24 Cluster 1-gen-2023 Monti, M; Brancolini, G; Coccia, E; Toffoli, D; Fortunelli, A; Corni, S; Aschi, M; Stener, M
Understanding Ionic Diffusion Mechanisms in Li2S Coatings for Solid-State Batteries: Development of a Tailored Reactive Force Field for Multiscale Simulations 1-gen-2023 D'Amore, Maddalena; Young Yang, Moon; Das, Tridip; Maria Ferrari, Anna; Kim, Minho M.; Rocca, Riccardo; Sgroi, Mauro; Fortunelli, Alessandro; Goddard III, William A.
What Contributes to the Measured Chiral Optical Response of the Glutathione-Protected Au-25 Nanocluster? 1-gen-2023 Monti, Marta; Matus Maria, Francisca; Malola, Sami; Fortunelli, Alessandro; Aschi, Massimiliano; Stener, Mauro; Hakkinen, Hannu