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HENRY ITALO FEMI ADENUSI

Pubblicazioni

HENRY ITALO FEMI ADENUSI

Pubblicazioni

 

Henry Italo Femi ADENUSI
AREA MIN. 02 - Scienze fisiche
Dipartimento Scienze e Ingegneria della Materia, dell'Ambiente ed Urbanistica
Facolta' di INGEGNERIA

25 pubblicazioni



Anno
Pubblicazioni
2025
Lithium Batteries – Lithium Secondary Batteries – Li-ion Battery | Ionic Liquid Electrolytes
Anno: 2025
Autori/autrici: Adenusi, Henry; Passerini, Stefano
Classificazione IRIS: 2.1 Contributo in volume (Capitolo o Saggio)
Scheda completa IRIS: https://iris.univpm.it/handle/11566/335632
Citazioni:
Lithium Batteries – Lithium Secondary Batteries – Li-ion Battery | Ionic Liquid Electrolytes / Adenusi, Henry; Passerini, Stefano. - 4:(2025), pp. 370-382. [10.1016/B978-0-323-96022-9.00176-6]
Abstract:
Lithium-ion battery technology poses safety issues due to the inherent incompatibility and flammability of the organic solvent-based liquid electrolytes. Ionic liquids have emerged as ideal materials that can supersede such solvents due to their unique physicochemical properties and propensity for r...
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2024
Polysulfide-mediated solvation shell reorganization for fast Li+ transfer probed by in-situ sum frequency generation spectroscopy
Anno: 2024
Rivista: ENERGY STORAGE MATERIALS
Autori/autrici: Wang, J.; Liu, H.; Zhang, J.; Xiao, Q.; Wang, C.; Zhang, Y.; Liu, M.; Kang, Q.; Jia, L.; Wang, D.; Li, Q.; Duan, W.; Adenusi, H.; Passerini, S.; Zhang, Y.; Lin, H.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330836
Citazioni:
Polysulfide-mediated solvation shell reorganization for fast Li+ transfer probed by in-situ sum frequency generation spectroscopy / Wang, J.; Liu, H.; Zhang, J.; Xiao, Q.; Wang, C.; Zhang, Y.; Liu, M.; Kang, Q.; Jia, L.; Wang, D.; Li, Q.; Duan, W.; Adenusi, H.; Passerini, S.; Zhang, Y.; Lin, H.. - In: ENERGY STORAGE MATERIALS. - ISSN 2405-8297. - 67:(2024). [10.1016/j.ensm.2024.103289]
Abstract:
Understanding of interfacial Li+ solvation shell structures and dynamic evolution at the electrode/electrolyte interface is requisite for developing high-energy-density Li batteries. Herein, the reorganization of Li+ solvation shell at the sulfur/electrolyte interface along with the presence of a tr...
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2024
Fast interfacial electrocatalytic desolvation enabling low-temperature and long-cycle-life aqueous Zn batteries
Anno: 2024
Rivista: INFOMAT
Autori/autrici: Wang, Jian; Hu, Hongfei; Jia, Lujie; Zhang, Jing; Zhuang, Quan; Li, Linge; Zhang, Yongzheng; Wang, Dong; Guan, Qinghua; Hu, Huimin; Liu, Meinan; Zhan, Liang; Adenusi, Henry; Passerini, Stefano; Lin, Hongzhen
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/333059
Citazioni:
Fast interfacial electrocatalytic desolvation enabling low-temperature and long-cycle-life aqueous Zn batteries / Wang, Jian; Hu, Hongfei; Jia, Lujie; Zhang, Jing; Zhuang, Quan; Li, Linge; Zhang, Yongzheng; Wang, Dong; Guan, Qinghua; Hu, Huimin; Liu, Meinan; Zhan, Liang; Adenusi, Henry; Passerini, Stefano; Lin, Hongzhen. - In: INFOMAT. - ISSN 2567-3165. - 6:7(2024). [10.1002/INF2.12558]
Abstract:
Low-temperature zinc batteries (LT-ZIBs) based on aqueous electrolytes show great promise for practical applications owing to their natural resource abundance and low cost. However, they suffer from sluggish kinetics with elevated energy barriers due to the dissociation of bulky Zn(H2O)(6)(2+) solva...
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2024
Superionicity by design: high proton conductivity in a fluorine-free protic ionic liquid
Anno: 2024
Rivista: JOURNAL OF MATERIALS CHEMISTRY. A
Autori/autrici: Schutz, H. M.; Nejrotti, S.; Adenusi, H.; Mariani, A.; Bodo, E.; Bonomo, M.; Innocenti, A.; Barolo, C.; Gao, X.; Passerini, S.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/333060
Citazioni:
Superionicity by design: high proton conductivity in a fluorine-free protic ionic liquid / Schutz, H. M.; Nejrotti, S.; Adenusi, H.; Mariani, A.; Bodo, E.; Bonomo, M.; Innocenti, A.; Barolo, C.; Gao, X.; Passerini, S.. - In: JOURNAL OF MATERIALS CHEMISTRY. A. - ISSN 2050-7488. - 12:29(2024), pp. 18412-18422. [10.1039/d4ta02880e]
Abstract:
In this study, the protic ionic liquid N,N-diethyl-3-sulfopropan-1-ammonium hydrogen methanedisulfonate is synthesized and characterized with the aim of elucidating its transport properties. A unique feature of this ionic liquid are the exchangeable acidic protons present on the anion and the cation...
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2023
Silicon-Containing Anodes for High-Energy Density Lithium-Ion Batteries
Anno: 2023
Rivista: MEETING ABSTRACTS
Autori/autrici: Gebresilassie Eshetu, Gebrekidan; Zhang, Heng; Judez, Xabier; Adenusi, Henry; Armand, Michel; Passerini, Stefano; Figgemeier, Egbert
Lingua: ENG
Classificazione IRIS: 4.2 Abstract in Atti di convegno
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330903
Citazioni:
Silicon-Containing Anodes for High-Energy Density Lithium-Ion Batteries / Gebresilassie Eshetu, Gebrekidan; Zhang, Heng; Judez, Xabier; Adenusi, Henry; Armand, Michel; Passerini, Stefano; Figgemeier, Egbert. - In: MEETING ABSTRACTS. - ISSN 2151-2043. - MA2023-01:(2023), pp. 522-522. [10.1149/MA2023-012522mtgabs]
2023
Assessing n-type organic materials for lithium batteries: A techno-economic review
Anno: 2023
Rivista: INFOMAT
Autori/autrici: Innocenti, A.; Adenusi, H.; Passerini, S.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330848
Citazioni:
Assessing n-type organic materials for lithium batteries: A techno-economic review / Innocenti, A.; Adenusi, H.; Passerini, S.. - In: INFOMAT. - ISSN 2567-3165. - 5:11(2023). [10.1002/inf2.12480]
Abstract:
The high demand for critical minerals such as lithium, copper, nickel, and cobalt, required for lithium-ion batteries, has raised questions regarding the feasibility of maintaining a steady and affordable supply of raw materials for their production. In the last years, researchers have shifted their...
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2023
Locally Concentrated Ionic Liquid Electrolytes for Lithium-Metal Batteries
Anno: 2023
Rivista: ANGEWANDTE CHEMIE. INTERNATIONAL EDITION
Autori/autrici: Liu, X.; Mariani, A.; Adenusi, H.; Passerini, S.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330834
Citazioni:
Locally Concentrated Ionic Liquid Electrolytes for Lithium-Metal Batteries / Liu, X.; Mariani, A.; Adenusi, H.; Passerini, S.. - In: ANGEWANDTE CHEMIE. INTERNATIONAL EDITION. - ISSN 1433-7851. - 62:17(2023). [10.1002/anie.202219318]
Abstract:
Non-flammable ionic liquid electrolytes (ILEs) are well-known candidates for safer and long-lifespan lithium metal batteries (LMBs). However, the high viscosity and insufficient Li+ transport limit their practical application. Recently, non-solvating and low-viscosity co-solvents diluting ILEs witho...
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2023
Interfacial “Single-Atom-in-Defects” Catalysts Accelerating Li+ Desolvation Kinetics for Long-Lifespan Lithium-Metal Batteries
Anno: 2023
Rivista: ADVANCED MATERIALS
Autori/autrici: Wang, J.; Zhang, J.; Wu, J.; Huang, M.; Jia, L.; Li, L.; Zhang, Y.; Hu, H.; Liu, F.; Guan, Q.; Liu, M.; Adenusi, H.; Lin, H.; Passerini, S.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330849
Citazioni:
Interfacial “Single-Atom-in-Defects” Catalysts Accelerating Li+ Desolvation Kinetics for Long-Lifespan Lithium-Metal Batteries / Wang, J.; Zhang, J.; Wu, J.; Huang, M.; Jia, L.; Li, L.; Zhang, Y.; Hu, H.; Liu, F.; Guan, Q.; Liu, M.; Adenusi, H.; Lin, H.; Passerini, S.. - In: ADVANCED MATERIALS. - ISSN 0935-9648. - 35:39(2023). [10.1002/adma.202302828]
Abstract:
The lithium-metal anode is a promising candidate for realizing high-energy-density batteries owing to its high capacity and low potential. However, several rate-limiting kinetic obstacles, such as the desolvation of Li+ solvation structure to liberate Li+, Li0 nucleation, and atom diffusion, cause h...
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2023
Bioactivity of the cannabigerol cannabinoid and its analogues – the role of 3-dimensional conformation
Anno: 2023
Rivista: ORGANIC & BIOMOLECULAR CHEMISTRY
Autori/autrici: Salha, Mohammed; Adenusi, Henry; Dupuis, John H.; Bodo, Enrico; Botta, Bruno; Mckenzie, Iain; Yada, Rickey Y.; Farrar, David H.; Magolan, Jakob; Tian, Kun V.; Chass, Gregory A.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330830
Citazioni:
Bioactivity of the cannabigerol cannabinoid and its analogues – the role of 3-dimensional conformation / Salha, Mohammed; Adenusi, Henry; Dupuis, John H.; Bodo, Enrico; Botta, Bruno; Mckenzie, Iain; Yada, Rickey Y.; Farrar, David H.; Magolan, Jakob; Tian, Kun V.; Chass, Gregory A.. - In: ORGANIC & BIOMOLECULAR CHEMISTRY. - ISSN 1477-0520. - 21:22(2023), pp. 4683-4693. [10.1039/D3OB00383C]
Abstract:
Cannabinoids are naturally occurring bioactive compounds with the potential to help treat chronic illnesses including epilepsy, Parkinson's disease, dementia and multiple sclerosis. Their general structures and efficient syntheses are well documented in the literature, yet their quantitative structu...
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2023
Ionic liquids and their derivatives for lithium batteries: role, design strategy, and perspectives
Anno: 2023
Rivista: ENERGY MATERIALS
Autori/autrici: Palluzzi, Matteo; Tsurumaki, Akiko; Adenusi, Henry; Navarra, Maria Assunta; Passerini, Stefano
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330851
Citazioni:
Ionic liquids and their derivatives for lithium batteries: role, design strategy, and perspectives / Palluzzi, Matteo; Tsurumaki, Akiko; Adenusi, Henry; Navarra, Maria Assunta; Passerini, Stefano. - In: ENERGY MATERIALS. - ISSN 2770-5900. - 3:6(2023). [10.20517/ENERGYMATER.2023.48]
Abstract:
Lithium-ion batteries (LIBs) are the predominant power source for portable electronic devices, and in recent years, their use has extended to higher-energy and larger devices. However, to satisfy the stringent requirements of safety and energy density, further material advancements are required. Due...
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2023
Could potassium-ion batteries become a competitive technology?
Anno: 2023
Rivista: ENERGY MATERIALS
Autori/autrici: Zarrabeitia, Maider; Carretero-Gonzalez, Javier; Leskes, Michal; Adenusi, Henry; Iliev, Boyan; Schubert, Thomas J. S.; Passerini, Stefano; Castillo-Martinez, Elizabeth
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330842
Citazioni:
Could potassium-ion batteries become a competitive technology? / Zarrabeitia, Maider; Carretero-Gonzalez, Javier; Leskes, Michal; Adenusi, Henry; Iliev, Boyan; Schubert, Thomas J. S.; Passerini, Stefano; Castillo-Martinez, Elizabeth. - In: ENERGY MATERIALS. - ISSN 2770-5900. - 3:6(2023). [10.20517/ENERGYMATER.2023.41]
Abstract:
Potassium-ion batteries (PIBs) have attracted significant attention as a complement to lithium-ion and sodium-ion batteries (SIBs). PIBs can theoretically provide higher specific energy and power density than SIBs due to lower standard electrode potential of K/K+ and faster K+ ion diffusion, maintai...
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2023
Lithium Batteries and the Solid Electrolyte Interphase (SEI)—Progress and Outlook
Anno: 2023
Rivista: ADVANCED ENERGY MATERIALS
Autori/autrici: Adenusi, H.; Chass, G. A.; Passerini, S.; Tian, K. V.; Chen, G.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330847
Citazioni:
Lithium Batteries and the Solid Electrolyte Interphase (SEI)—Progress and Outlook / Adenusi, H.; Chass, G. A.; Passerini, S.; Tian, K. V.; Chen, G.. - In: ADVANCED ENERGY MATERIALS. - ISSN 1614-6832. - 13:10(2023). [10.1002/aenm.202203307]
Abstract:
Interfacial dynamics within chemical systems such as electron and ion transport processes have relevance in the rational optimization of electrochemical energy storage materials and devices. Evolving the understanding of fundamental electrochemistry at interfaces would also help in the understanding...
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2023
Quasi-solid-state electrolytes - strategy towards stabilising Li|inorganic solid electrolyte interfaces in solid-state Li metal batteries
Anno: 2023
Rivista: ENERGY MATERIALS
Autori/autrici: Mazzapioda, Lucia; Tsurumaki, Akiko; Di Donato, Graziano; Adenusi, Henry; Assunta Navarra, Maria; Passerini, Stefano
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330840
Citazioni:
Quasi-solid-state electrolytes - strategy towards stabilising Li|inorganic solid electrolyte interfaces in solid-state Li metal batteries / Mazzapioda, Lucia; Tsurumaki, Akiko; Di Donato, Graziano; Adenusi, Henry; Assunta Navarra, Maria; Passerini, Stefano. - In: ENERGY MATERIALS. - ISSN 2770-5900. - 3:2(2023). [10.20517/energymater.2023.03]
Abstract:
Solid-state batteries (SSBs) based on inorganic solid electrolytes (ISEs) are considered promising candidates for enhancing the energy density and the safety of next-generation rechargeable lithium batteries. However, their practical application is frequently hampered by the high resistance arising ...
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2023
Electrolyte Strategies Facilitating Anion-Derived Solid-Electrolyte Interphases for Aqueous Zinc–Metal Batteries
Anno: 2023
Rivista: SMALL METHODS
Autori/autrici: Li, H.; Chen, Z.; Zheng, L.; Wang, J.; Adenusi, H.; Passerini, S.; Zhang, H.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330838
Citazioni:
Electrolyte Strategies Facilitating Anion-Derived Solid-Electrolyte Interphases for Aqueous Zinc–Metal Batteries / Li, H.; Chen, Z.; Zheng, L.; Wang, J.; Adenusi, H.; Passerini, S.; Zhang, H.. - In: SMALL METHODS. - ISSN 2366-9608. - 8:6(2023). [10.1002/smtd.202300554]
Abstract:
Rechargeable aqueous zinc–metal batteries (AZBs) are a promising complimentary technology to the existing lithium-ion batteries and the re-emerging lithium–metal batteries to satisfy the increasing demands on energy storage. Despite considerable progress achieved in the past years, the fundament...
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2022
Electrolyte Measures to Prevent Polysulfide Shuttle in Lithium-Sulfur Batteries
Anno: 2022
Rivista: BATTERIES & SUPERCAPS
Autori/autrici: Di Donato, G.; Ates, T.; Adenusi, H.; Varzi, A.; Navarra, M. A.; Passerini, S.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330831
Citazioni:
Electrolyte Measures to Prevent Polysulfide Shuttle in Lithium-Sulfur Batteries / Di Donato, G.; Ates, T.; Adenusi, H.; Varzi, A.; Navarra, M. A.; Passerini, S.. - In: BATTERIES & SUPERCAPS. - ISSN 2566-6223. - 5:7(2022). [10.1002/batt.202200097]
Abstract:
Lithium-sulfur (Li−S) batteries are recognized as one of the most promising technologies with the potential to become the next-generation batteries. However, to ensure Li−S batteries reach commercialization, complex challenges remain, among which the tailoring of an appropriate electrolyte is th...
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2022
Demixing the miscible liquids: toward biphasic battery electrolytes based on the kosmotropic effect
Anno: 2022
Rivista: ENERGY & ENVIRONMENTAL SCIENCE
Autori/autrici: Kim, W. -Y.; Kim, H. -I.; Lee, K. M.; Shin, E.; Liu, X.; Moon, H.; Adenusi, H.; Passerini, S.; Kwak, S. K.; Lee, S. -Y.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330833
Citazioni:
Demixing the miscible liquids: toward biphasic battery electrolytes based on the kosmotropic effect / Kim, W. -Y.; Kim, H. -I.; Lee, K. M.; Shin, E.; Liu, X.; Moon, H.; Adenusi, H.; Passerini, S.; Kwak, S. K.; Lee, S. -Y.. - In: ENERGY & ENVIRONMENTAL SCIENCE. - ISSN 1754-5692. - 15:12(2022), pp. 5217-5228. [10.1039/d2ee03077b]
Abstract:
Exploring new electrolyte chemistry beyond conventional single-phase battery electrolytes is needed to fulfill the heterogeneous requirements of anodes and cathodes. Here, we report a biphasic liquid electrolyte (BLE) based on the kosmotropic effect. The key underlying technology for the BLE is phas...
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2022
Toward Dendrite-Free Metallic Lithium Anodes: From Structural Design to Optimal Electrochemical Diffusion Kinetics
Anno: 2022
Rivista: ACS NANO
Autori/autrici: Wang, J.; Li, L.; Hu, H.; Hu, H.; Guan, Q.; Huang, M.; Jia, L.; Adenusi, H.; Tian, K. V.; Zhang, J.; Passerini, S.; Lin, H.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330850
Citazioni:
Toward Dendrite-Free Metallic Lithium Anodes: From Structural Design to Optimal Electrochemical Diffusion Kinetics / Wang, J.; Li, L.; Hu, H.; Hu, H.; Guan, Q.; Huang, M.; Jia, L.; Adenusi, H.; Tian, K. V.; Zhang, J.; Passerini, S.; Lin, H.. - In: ACS NANO. - ISSN 1936-0851. - 16:11(2022), pp. 17729-17760. [10.1021/acsnano.2c08480]
Abstract:
Lithium metal anodes are ideal for realizing high-energy-density batteries owing to their advantages, namely high capacity and low reduction potentials. However, the utilization of lithium anodes is restricted by the detrimental lithium dendrite formation, repeated formation and fracturing of the so...
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2022
Advances and issues in developing intercalation graphite cathodes for aqueous batteries
Anno: 2022
Rivista: MATERIALS TODAY
Autori/autrici: Zhang, H.; Guo, G.; Adenusi, H.; Qin, B.; Li, H.; Passerini, S.; Huang, W.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330839
Citazioni:
Advances and issues in developing intercalation graphite cathodes for aqueous batteries / Zhang, H.; Guo, G.; Adenusi, H.; Qin, B.; Li, H.; Passerini, S.; Huang, W.. - In: MATERIALS TODAY. - ISSN 1369-7021. - 53:(2022), pp. 162-172. [10.1016/j.mattod.2022.01.020]
Abstract:
Aqueous rechargeable batteries offer a safe alternative for electrochemical energy storage, integrating cost-efficiency and energy density to meet the demand for stationary applications. Recent efforts have focused on the improvement of electrode materials in aqueous electrolytes, particularly the c...
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2021
Production of high-energy Li-ion batteries comprising silicon-containing anodes and insertion-type cathodes
Anno: 2021
Rivista: NATURE COMMUNICATIONS
Autori/autrici: Eshetu, G. G.; Zhang, H.; Judez, X.; Adenusi, H.; Armand, M.; Passerini, S.; Figgemeier, E.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330837
Citazioni:
Production of high-energy Li-ion batteries comprising silicon-containing anodes and insertion-type cathodes / Eshetu, G. G.; Zhang, H.; Judez, X.; Adenusi, H.; Armand, M.; Passerini, S.; Figgemeier, E.. - In: NATURE COMMUNICATIONS. - ISSN 2041-1723. - 12:1(2021). [10.1038/s41467-021-25334-8]
Abstract:
Rechargeable Li-based battery technologies utilising silicon, silicon-based, and Si-derivative anodes coupled with high-capacity/high-voltage insertion-type cathodes have reaped significant interest from both academic and industrial sectors. This stems from their practically achievable energy densit...
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2021
Hydrogen bonding in biocompatible ionic liquids: An ab-initio characterization of dimeric interactions
Anno: 2021
Rivista: ELECTRONIC STRUCTURE
Autori/autrici: Donne, A. L.; Adenusi, H.; Porcelli, F.; Bodo, E.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330844
Citazioni:
Hydrogen bonding in biocompatible ionic liquids: An ab-initio characterization of dimeric interactions / Donne, A. L.; Adenusi, H.; Porcelli, F.; Bodo, E.. - In: ELECTRONIC STRUCTURE. - ISSN 2516-1075. - 3:2(2021). [10.1088/2516-1075/abfd21]
Abstract:
We present here an analysis of the electronic structure of like-charge dimers that occur in a class of protic ionic materials based on the use of amino and phosphonic acids anions. Some of these materials have emerged in recent years as a possible replacement of first-generation ionic liquids becaus...
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2020
CO2 Capture in Ionic Liquids Based on Amino Acid Anions With Protic Side Chains: a Computational Assessment of Kinetically Efficient Reaction Mechanisms
Anno: 2020
Rivista: CHEMISTRYOPEN
Autori/autrici: Onofri, S.; Adenusi, H.; Le Donne, A.; Bodo, E.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330845
Citazioni:
CO2 Capture in Ionic Liquids Based on Amino Acid Anions With Protic Side Chains: a Computational Assessment of Kinetically Efficient Reaction Mechanisms / Onofri, S.; Adenusi, H.; Le Donne, A.; Bodo, E.. - In: CHEMISTRYOPEN. - ISSN 2191-1363. - 9:11(2020), pp. 1153-1160. [10.1002/open.202000275]
Abstract:
Absorption and capture of CO2 directly from sources represents one of the major tools to reduce its emission in the troposphere. One of the possibilities is to incorporate CO2 inside a liquid exploiting its propensity to react with amino groups to yield carbamic acid or carbamates. A particular clas...
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2020
Ab Initio Molecular Dynamics Study of Phospho-Amino Acid-Based Ionic Liquids: Formation of Zwitterionic Anions in the Presence of Acidic Side Chains
Anno: 2020
Rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Autori/autrici: Adenusi, H.; Le Donne, A.; Porcelli, F.; Bodo, E.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330843
Citazioni:
Ab Initio Molecular Dynamics Study of Phospho-Amino Acid-Based Ionic Liquids: Formation of Zwitterionic Anions in the Presence of Acidic Side Chains / Adenusi, H.; Le Donne, A.; Porcelli, F.; Bodo, E.. - In: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL. - ISSN 1520-6106. - 124:10(2020), pp. 1955-1964. [10.1021/acs.jpcb.9b09703]
Abstract:
We present a computational analysis of the complex proton-transfer processes in two protic ionic liquids based on phosphorylated amino acid anions. The structure and the short time dynamics have been analyzed via ab initio and semi-empirical molecular dynamics. Given the presence of mobile protons o...
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2020
Theoretical insights into the structure of the aminotris(methylenephosphonic acid) (ATMP) anion: A possible partner for conducting ionic media
Anno: 2020
Rivista: SYMMETRY
Autori/autrici: Adenusi, H.; Chass, G.; Bodo, E.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330846
Citazioni:
Theoretical insights into the structure of the aminotris(methylenephosphonic acid) (ATMP) anion: A possible partner for conducting ionic media / Adenusi, H.; Chass, G.; Bodo, E.. - In: SYMMETRY. - ISSN 2073-8994. - 12:6(2020). [10.3390/SYM12060920]
Abstract:
We present a computational characterisation of Aminotris(methylenephosphonic acid) (ATMP) and its potential use as an anionic partner for conductive ionic liquids (ILs). We argue that for an IL to be a good candidate for a conducting medium, two conditions must be fulfilled: (i) the charge must be t...
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2019
Structural Features of Cholinium Based Protic Ionic Liquids through Molecular Dynamics
Anno: 2019
Rivista: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL
Autori/autrici: Le Donne, A.; Adenusi, H.; Porcelli, F.; Bodo, E.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330841
Citazioni:
Structural Features of Cholinium Based Protic Ionic Liquids through Molecular Dynamics / Le Donne, A.; Adenusi, H.; Porcelli, F.; Bodo, E.. - In: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL. - ISSN 1520-6106. - 123:26(2019), pp. 5568-5576. [10.1021/acs.jpcb.9b03314]
Abstract:
An analysis of the complex proton transfer processes in certain protic ionic liquids, based on amino acid anions, has been carried out through ab initio molecular dynamics in the view of finding naturally conductive and pure mediums. The systems analyzed here might serve as chemical prototypes for p...
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2018
Hydrogen Bonding as a Clustering Agent in Protic Ionic Liquids: Like-Charge vs Opposite-Charge Dimer Formation
Anno: 2018
Rivista: ACS OMEGA
Autori/autrici: Le Donne, A.; Adenusi, H.; Porcelli, F.; Bodo, E.
Lingua: ENG
Classificazione IRIS: 1.1 Articolo in rivista
Scheda completa IRIS: https://iris.univpm.it/handle/11566/330832
Citazioni:
Hydrogen Bonding as a Clustering Agent in Protic Ionic Liquids: Like-Charge vs Opposite-Charge Dimer Formation / Le Donne, A.; Adenusi, H.; Porcelli, F.; Bodo, E.. - In: ACS OMEGA. - ISSN 2470-1343. - 3:9(2018), pp. 10589-10600. [10.1021/acsomega.8b01615]
Abstract:
The local structure of a series of homologous protic ionic liquids (PILs) is investigated using ab initio computations and ab initio-based molecular dynamics. The purpose of this work is to show that in PILs the network of hydrogen bonds may promote like-charge clustering between anionic species. We...
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