Alessandro Fortunelli - Publications, H-index & Citations | 科言猫

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Alessandro Fortunelli

Consiglio Nazionale delle Ricerche

57H指数

397论文数

1.4W被引数

收录论文 189

发表时间

An Integrated Spectroscopy–Microkinetic Approach to Identifying Active-Site Distributions in Palladium Single-Atom Catalysts 集成光谱学-微观动力学方法用于识别钯单原子催化剂中的活性位分布

IF6.6

2026-09-08

0

OAAI

Ronan Gleeson; Alessandro Fortunelli; Mathias Meidahl Hommelgaard; Mauro Stener; Yang Hu; Heine Anton Hansen

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Comparison of predictive approaches to the dynamics of activated catalytic processes 对活化催化过程动力学预测方法的比较

Physical Chemistry Chemical Physics

IF2.9

2026-05-01

0

OAAI

Conter, Giorgio; Roongcharoen, Thantip; Wales, David J.; Fortunellia, Alessandro

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In-silico optimization of CO₂ adsorption on graphene nanoribbons via heteroatom edge-doping under competitive H2O conditions 通过杂原子边缘掺杂在竞争性H₂O条件下对石墨烯纳米带上的CO₂吸附进行计算机模拟优化

Computational and Theoretical Chemistry

IF2.8

2026-03-23

0

PREAI

Juan Enrique Ramírez-Hernández; Thantip Roongcharoen; Jonathan Casildo Luque-Ceballos; Alessandro Fortunelli; Alvaro Posada-Amarillas

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Electric Field Enhancements and Hot Spots in Amorphous Carbon Materials 无定形碳材料中的电场增强和热点

Small Structures

IF11.3

2026-03-08

0

OAAI

Pablo Grobas Illobre; Giorgio Conter; Luca Bonatti; Tommaso Giovannini; Alessandro Fortunelli; Chiara Cappelli

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Carbon dioxide hydrogenation on copper and nickel catalysts via a conformal sampling approach 通过共形采样方法在铜和镍催化剂上对二氧化碳进行加氢反应

Faraday Discussions

IF3.1

2026-03-01

0

OAAI

Roongcharoen, Thantip; Fortunelli, Alessandro

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Accurate Simulations of Water and Aqueous Solutions through Fine-Tuned Dispersion-Corrected Density Functional Theory and Machine-Learning Interatomic Potentials 通过精细调节的色散校正密度泛函理论和机器学习原子间势能对水和水溶液的精确模拟

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2025-11-01

0

PREAI

Ferretti, Alfonso; Melani, Giacomo; Benedetti, Luca; Sorodoc, Robert A.; Fortunelli, Alessando; Brancato, Giuseppe

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Electronic and structural effects of MgO(100) support on CO adsorption in coinage metal hexamers MgO(100)载体对贵金属团簇中CO吸附的电子和结构效应

Computational and Theoretical Chemistry

IF2.8

2025-09-24

0

PREAI

Jonathan C. Luque-Ceballos; Alessandro Fortunelli; Alvaro Posada-Amarillas

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Machine-Learning-Accelerated Conformal Sampling of Methanol Catalytic Conversion on Bimetallic Systems 机器学习加速的甲醇催化转化在双金属系统中的共形采样

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2025-09-01

0

PREAI

Melani, Giacomo; Roongcharoen, Thantip; Conter, Giorgio; Sementa, Luca; Fortunelli, Alessandro

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In Search of Structure’ Links Across Length Scales: Crossover Among Structural Motifs, Energetics, and Magic Systems in Subnanometer Transition Metals Clusters 《追寻跨长度尺度的结构关联：亚纳米过渡金属簇中结构基序、能量学和魔幻系统的交叉》

Small Structures

IF11.3

2025-08-15

0

OAAI

Ernesto Garcia-Alfonso; Thantip Roongcharoen; Piotr Zuchowski; Alessandro Fortunelli

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Extrapolation Techniques in Database Construction for Machine-Learning Potentials: Achieving Subchemical Accuracy in Sampling Conformal Funnels in Catalytic Processes

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-08-01

0

PREAI

Roongcharoen, Thantip; Conter, Giorgio; Melani, Giacomo; Sementa, Luca; Fortunelli, Alessandro

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Ammonia Evolution in Glycine Pyrolysis via Ionic-Pair Reaction Mechanisms 甘氨酸热解中通过离子对反应机制产生的氨气演化

Journal of the American Chemical Society

IF15.6

2025-07-28

0

PREAI

Jacopo Lupi; Thantip Roongcharoen; Luca Sementa; Francesca Cicogna; Alessandro Nanni; Alessandro Fortunelli

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Porosity Local Analysis (PoLA): A New Approach to Describe the Porous Volume Distribution in Amorphous Carbons 孔隙率局部分析（PoLA）：一种描述无定形碳中孔隙体积分布的新方法

IF4.3

2025-07-15

0

OAAI

Alberto Zoccante; Maddalena D’Amore; Ciro Achille Guido; Alessandro Fortunelli; Giorgio Conter; Leonardo Marchese; Maurizio Cossi

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Mechanistic Investigation of Methanol Aqueous-Phase Reforming via Water Dissociation over Pt and Pt-Mn Catalysts: A Density Functional Theory Insight

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2025-02-03

0

PREAI

Roongcharoen, Thantip; Sementa, Luca; Fortunelli, Alessandro

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Machine-Learning-Accelerated DFT Conformal Sampling of Catalytic Processes

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-08-30

1

PREAI

Roongcharoen, Thantip; Conter, Giorgio; Sementa, Luca; Melani, Giacomo; Fortunelli, Alessandro

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Functionalized Amorphous Carbon Materials via Reactive Molecular Dynamics Simulations

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2024-08-29

1

PREAI

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

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Parametric and sensitive analysis of Pd-Ag membrane reactor performance in biogas reforming to generate decarbonized hydrogen by Computational Fluid Dynamic-Response Surface Methodology

IF7.5

2024-06-01

3

OAAI

Ghasemzadeh, K.; Torabi, T.; Amiri, T. Yousefi; Fortunelli, A.; Iulianelli, A.

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Dynamical Performance of Graphene Aerogel with Ductile and Brittle Characteristics

ADVANCED FUNCTIONAL MATERIALS

IF19

2024-03-29

0

PREAI

Xiao, Kailu; Zhang, Wei; Zhu, Mingquan; Yin, Qiuyun; Fortunelli, Alessandro; Goddard, William A., III; Wu, Xianqian

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Dichroism of plasmonic chiral nanoalloys by rational design

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2024-03-29

0

PREAI

D'Antoni, Pierpaolo; Toffoli, Daniele; Fronzoni, Giovanna; Stener, Mauro; Sementa, Luca; Fortunelli, Alessandro

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First-Principles Design of Ohmic FET Devices from 2D Transition Metal Dichalcogenides

ADVANCED FUNCTIONAL MATERIALS

IF19

2023-12-13

1

OAAI

Golsanamlou, Zahra; Fortunelli, Alessandro; Sementa, Luca

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Understanding Ionic Diffusion Mechanisms in Li2S Coatings for Solid-State Batteries: Development of a Tailored Reactive Force Field for Multiscale Simulations 了解固态电池Li2S涂层中的离子扩散机制: 开发用于多尺度模拟的定制反应力场

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-11-15

1

OAAI

D'Amore, Maddalena; Yang, Moon Young; Das, Tridip; Ferrari, Anna Maria; Kim, Minho M.; Rocca, Riccardo; Sgroi, Mauro; Fortunelli, Alessandro; Goddard III, William A.

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