SEMENTA, LUCA

SEMENTA, LUCA  

Istituto per i Processi Chimico-Fisici - IPCF - Sede Secondaria Pisa  

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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.
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
Machine-Learning-Accelerated DFT Conformal Sampling of Catalytic Processes 1-gen-2024 Roongcharoen, Thantip; Conter, Giorgio; Sementa, Luca; Melani, Giacomo; Fortunelli, Alessandro
Unraveling the Source of Self‐Induced Diastereomeric Anisochronism in Chiral Dipeptides 1-gen-2024 Spiaggia, Fabio; Aiello, Federica; Sementa, Luca; Campagne, Jean-Marc; de Figueiredo, Renata Marcia; Barretta, Gloria Uccello; Balzano, Federica
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
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
Coupling between Plasmonic and Molecular Excitations: TDDFT Investigation of an Ag-Nanorod/BODIPY-Dye Interaction 1-gen-2022 Medves, M; Toffoli, D; Stener, M; Sementa, L; Fortunelli, A
Experimental Sabatier plot for predictive design of active and stable Pt-alloy oxygen reduction reaction catalysts 1-gen-2022 Huang, J; Sementa, L; Liu, Z; Barcaro, G; Feng, M; Liu, E; Jiao, L; Xu, M; Leshchev, D; Lee, Sj; Li, M; Wan, C; Zhu, E; Liu, Y; Peng, B; Duan, X; Goddard, Wa; Fortunelli, A; Jia, Q; Huang, Y
Mechanisms of the Oxygen Evolution Reaction on NiFe2O4 and CoFe2O4 Inverse-Spinel Oxides 1-gen-2022 Avcl, On; Sementa, L; Fortunelli, A
Plasmonic circular dichroism in chiral gold nanowire dimers 1-gen-2022 Toffoli, D; Medves, M; Fronzoni, G; Coccia, E; Stener, M; Sementa, L; Fortunelli, A
Vertical Heterostructures between Transition-Metal Dichalcogenides--A Theoretical Analysis of the NbS2/WSe2 Junction 1-gen-2022 Golsanamlou, Zahra; Kumari, Poonam; Sementa, Luca; Cusati, Teresa; Iannaccone, Giuseppe; Fortunelli, Alessandro
Circularly Polarized Plasmons in Chiral Gold Nanowires via Quantum-Mechanical Design 1-gen-2021 Toffoli, D; Russi, A; Fronzoni, G; Coccia, E; Stener, M; Sementa, L; Fortunelli, A
Correction: Theoretical Analysis of a 2D Metallic/Semiconducting Transition-Metal Dichalcogenide NbS2//WSe2 Hybrid Interface (Advanced Theory and Simulations, (2020), 3, 12, (2000164), 10.1002/adts.202000164) 1-gen-2021 Golsanamlou, Zahra; Sementa, Luca; Cusati, Teresa; Iannaccone, Giuseppe; Fortunelli, Alessandro
Density Functional Theory Investigation of Graphene Functionalization with Activated Carbenes and Its Application in the Sensing of Heavy Metallic Cations 1-gen-2021 Baachaoui, S; Aldulaijan, S; Sementa, L; Fortunelli, A; Dhouib, A; Raouafi, N