SEMENTA, LUCA
SEMENTA, LUCA
Istituto per i Processi Chimico-Fisici - IPCF
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
Mechanisms of the Oxygen Evolution Reaction on NiFe2O4 and CoFe2O4 Inverse-Spinel Oxides
2022 Avcl, On; Sementa, L; Fortunelli, A
Plasmonic circular dichroism in chiral gold nanowire dimers
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
2022 Golsanamlou, Zahra; Kumari, Poonam; Sementa, Luca; Cusati, Teresa; Iannaccone, Giuseppe; Fortunelli, Alessandro
Circularly Polarized Plasmons in Chiral Gold Nanowires via Quantum-Mechanical Design
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)
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
2021 Baachaoui, S; Aldulaijan, S; Sementa, L; Fortunelli, A; Dhouib, A; Raouafi, N
| 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 |