SEMENTA, LUCA
SEMENTA, LUCA
Istituto per i Processi Chimico-Fisici - IPCF - Sede Secondaria Pisa
Ammonia Evolution in Glycine Pyrolysis via Ionic-Pair Reaction Mechanisms
2025 Lupi, Jacopo; Roongcharoen, Thantip; Sementa, Luca; Cicogna, Francesca; Nanni, Alessandro; Fortunelli, Alessandro
Enhancing and understanding the stability of Ni catalysts via In-promotion for the steam reforming of oxygenates: An in-depth operando XRD-XAS and modeling investigation
2025 Fracchia, Martina; Roongcharoen, Thantip; Coduri, Mauro; Sementa, Luca; Saeedi, Soroosh; Nguyen, Xuan Trung; Stoian, Dragos Constantin; Pitzalis, Emanuela; Campanella, Beatrice; Evangelisti, Claudio; Fortunelli, Alessandro; Santo, Vladimiro Dal; Bossola, Filippo
Extrapolation Techniques in Database Construction for Machine-Learning Potentials: Achieving Subchemical Accuracy in Sampling Conformal Funnels in Catalytic Processes
2025 Roongcharoen, Thantip; Conter, Giorgio; Melani, Giacomo; Sementa, Luca; Fortunelli, Alessandro
Machine-Learning-Accelerated Conformal Sampling of Methanol Catalytic Conversion on Bimetallic Systems
2025 Melani, Giacomo; Roongcharoen, Thantip; Conter, Giorgio; Sementa, Luca; Fortunelli, Alessandro
Mechanistic Investigation of Methanol Aqueous-Phase Reforming via Water Dissociation over Pt and Pt–Mn Catalysts: A Density Functional Theory Insight
2025 Roongcharoen, Thantip; Sementa, Luca; Fortunelli, Alessandro
Revolutionizing Ammonia Synthesis: FeCoNiAlSi High-Entropy Alloy Catalyst for Low-Pressure, Low-Temperature Applications
2025 Shen, Yidi; Sementa, Luca; Johnson, Duane D.; Fortunelli, Alessandro; An, Qi; Goddard, William A.
Atomistic Modeling of Spinel Oxide Particle Shapes and Reshaping under OER Conditions
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
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
2024 Baachaoui, Sabrine; Hajlaoui, Rabiaa; Aoun, Sami Ben; Fortunelli, Alessandro; Sementa, Luca; Raouafi, Noureddine
Dichroism of plasmonic chiral nanoalloys by rational design
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
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
2024 Golsanamlou, Zahra; Fortunelli, Alessandro; Sementa, Luca
Machine-Learning-Accelerated DFT Conformal Sampling of Catalytic Processes
2024 Roongcharoen, Thantip; Conter, Giorgio; Sementa, Luca; Melani, Giacomo; Fortunelli, Alessandro
Unraveling the Source of Self‐Induced Diastereomeric Anisochronism in Chiral Dipeptides
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
2023 Kumari, Poonam; Golsanamlou, Zahra; Smogunov, Alexander; Sementa, Luca; Fortunelli, Alessandro
Oxidation and de-alloying of PtMn particle models: a computational investigation
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
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
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
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
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
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Ammonia Evolution in Glycine Pyrolysis via Ionic-Pair Reaction Mechanisms | 1-gen-2025 | Lupi, Jacopo; Roongcharoen, Thantip; Sementa, Luca; Cicogna, Francesca; Nanni, Alessandro; Fortunelli, Alessandro | |
| Enhancing and understanding the stability of Ni catalysts via In-promotion for the steam reforming of oxygenates: An in-depth operando XRD-XAS and modeling investigation | 1-gen-2025 | Fracchia, Martina; Roongcharoen, Thantip; Coduri, Mauro; Sementa, Luca; Saeedi, Soroosh; Nguyen, Xuan Trung; Stoian, Dragos Constantin; Pitzalis, Emanuela; Campanella, Beatrice; Evangelisti, Claudio; Fortunelli, Alessandro; Santo, Vladimiro Dal; Bossola, Filippo | |
| Extrapolation Techniques in Database Construction for Machine-Learning Potentials: Achieving Subchemical Accuracy in Sampling Conformal Funnels in Catalytic Processes | 1-gen-2025 | Roongcharoen, Thantip; Conter, Giorgio; Melani, Giacomo; Sementa, Luca; Fortunelli, Alessandro | |
| Machine-Learning-Accelerated Conformal Sampling of Methanol Catalytic Conversion on Bimetallic Systems | 1-gen-2025 | Melani, Giacomo; Roongcharoen, Thantip; Conter, Giorgio; Sementa, Luca; Fortunelli, Alessandro | |
| Mechanistic Investigation of Methanol Aqueous-Phase Reforming via Water Dissociation over Pt and Pt–Mn Catalysts: A Density Functional Theory Insight | 1-gen-2025 | Roongcharoen, Thantip; Sementa, Luca; Fortunelli, Alessandro | |
| Revolutionizing Ammonia Synthesis: FeCoNiAlSi High-Entropy Alloy Catalyst for Low-Pressure, Low-Temperature Applications | 1-gen-2025 | Shen, Yidi; Sementa, Luca; Johnson, Duane D.; Fortunelli, Alessandro; An, Qi; Goddard, William A. | |
| 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 |