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Papers by Kajari Chatterjee

Research paper thumbnail of Computational materials discovery and development for Li and non-Li advanced battery chemistries

Journal of Electrochemical Science and Engineering

Since the discovery of batteries in the 1800s, their fascinating physical and chemical pro­pertie... more Since the discovery of batteries in the 1800s, their fascinating physical and chemical pro­perties have led to much research on their synthesis and manufacturing. Though lithium-ion batteries have been crucial for civilization, they can still not meet all the growing demands for energy storage because of the geographical distribution of lithium resources and the intrinsic limitations in the cell energy density, performance, and reliability issues. As a result, non-Li-ion batteries are becoming increasingly popular alternatives. Designing novel materials with desired properties is crucial for a quicker transition to the green energy ecosystem. Na, K, Mg, Zn, Al ion, etc. batteries are considered the most alluring and promising. This article covers all these Li, non-Li, and metal-air cell chemistries. Recently, com­putational screening has proven to be an effective tool to accelerate the discovery of active materials for all these cell types. First-principles methods such as density f...

Research paper thumbnail of Advanced Surface Engineering Approaches for Exotic Applications

International Journal of Precision Engineering and Manufacturing

Research paper thumbnail of Application of Ionic Liquids in Rechargeable Li-Ion Batteries: A Comprehensive Guide to Design, Synthesis and Computational Aspects

Industrial Applications of Ionic Liquids [Working Title]

The breathtaking pace of the development of smart and wearable gadgets, electric vehicles and man... more The breathtaking pace of the development of smart and wearable gadgets, electric vehicles and many other ultraportable devices has ushered into the era of rapid development of rechargeable batteries with enhanced safety, high-performance, high gravimetric and volumetric energy density. New battery chemistries are being constantly explored to identify better electrolytes that are environmental-friendly, nonflammable, reusable and most importantly ultra-customizable for high-performance applications. Ionic liquid, by virtue of its unique set of tunable properties, is a natural choice from both academic and industrial perspectives. A general guiding principle of ionic liquid synthesis proceeds via an appropriate selection of precursors from the ionic liquid toolbox and reaction with the alkyl halide followed by the metathesis or simple acid-base reaction yielding the final ionic liquid. This study is a complete and extensive treatise on the usage of the ionic liquids in the electrolyte...

Research paper thumbnail of New Thiourea-Based Ionic Liquid as an Electrolyte Additive to Improve Cell Safety and Enhance Electrochemical Performance in Lithium-Ion Batteries

Our society is critically dependent on lithium-ion batteries (LIBs) as a power source for portabl... more Our society is critically dependent on lithium-ion batteries (LIBs) as a power source for portable electronic gadgets. One of the major problems with these batteries is the degradation of the materials inside them. In addition to the reduced cell life, building-up of these degraded products inside the cells is very detrimental to the safe operation. Herein, we report the synthesis and characterization of a novel thiourea-based room temperature ionic liquid (IL), 3-heptyl-1-(3-(3-heptyl-3-phenylthioureido)propyl)-1H-imidazole-3-ium hexafluorophosphate. Its electrochemical and thermal properties including transport phenomena have been studied. It is proposed to be used as a nominal additive to commercially used electrolytes, ethylene carbonate and dimethyl carbonate mixtures. The comparative performance characteristics of the LIBs in the presence and the absence of this IL additive have been demonstrated with a traditional lithium nickel cobalt manganese oxide cathode (NMC111), a graphite anode, and an ethylene carbonate and di-methyl carbonate (1:1, v/v) electrolyte. It is further demonstrated that use of this electrolyte additive in batteries helps to address some of the major concerns of the conventional electrolytes such as safety issues and cycling performance as well as coulombic efficiency with enhanced discharge capacities.

Research paper thumbnail of Development of thermoplastic elastomers based on maleated ethylene propylene rubber (m-EPM) and polypropylene (PP) by dynamic vulcanization

Express Polymer Letters, 2007

Dicumyl peroxide (DCP)-cured thermoplastic vulcanizates (TPVs) based on blends of maleated ethyle... more Dicumyl peroxide (DCP)-cured thermoplastic vulcanizates (TPVs) based on blends of maleated ethylene propylene rubber (m-EPM) and polypropylene (PP) using maleated-PP as a compatibilizer have been developed. Physical properties of these TPVs change significantly with concentrations of DCP and rubber/plastic blend ratios. Important correlations were obtained from rheometer delta torque values with various physical properties of the TPVs like tension set and crosslink density etc. Wide angle X-ray diffraction study confirms that concentration of DCP has a strong influence on the crystallinity of PP, which might affect the final physical properties of TPVs. The recyclability and ageing characteristics of these TPVs are also found excellent.

Research paper thumbnail of Solvent extraction of plutonium(IV) in monoamide – ammonium ionic liquid mixture

Separation and Purification Technology, 2016

Abstract The extraction behavior of plutonium(IV) was studied in the room temperature ionic liqui... more Abstract The extraction behavior of plutonium(IV) was studied in the room temperature ionic liquid, trioctylmethylammonium bis(trifluoromethanesulfonyl)imide ([N 1888 ][NTf 2 ]) containing a monoamide, N,N- dihexyloctanamide (DHOA). The unusual extraction of Pu(IV) observed in this ionic liquid system was reported in this paper. The extraction behavior of plutonium(IV) was investigated as a function of various parameters, such as feed acid concentration, extractant and ionic liquid concentration, type of the extractants, equilibration time and temperature. Changing the extractant from DHOA to tri- n -butyl phosphate reduced the distribution ratio of Pu(IV). The extraction trend of Pu(IV) in neat [N 1888 ][NTf 2 ] was compared with those observed in other ionic liquids such as 1-alkyl-3-methylimidazolium bistriflimide ([C n mim][NTf 2 ]). Pu(IV) extraction in [N 1888 ][NTf 2 ] was found to follow a combination of anion exchange mechanism and neutral solvation pathway at feed acidities above 2 M HNO 3 . The extraction of Pu(IV) in DHOA/[N 1888 ][NTf 2 ] was also compared with those observed in a molecular diluent system, DHOA/ n -DD. All thermodynamic parameters governing the extraction of plutonium(IV) in [N 1888 ][NTf 2 ] was determined and discussed in detail. Stripping of Pu(IV) from the loaded ionic liquid phase was performed using dilute nitric acid.

Research paper thumbnail of  “Preparation, characterization and properties of Thermoplastic elastomer(TPE)/ nanosilica composites, K. Chatterjee and K.Naskar. IIT Kharagpur,India, International Conference on Materials for Advanced Technologies (ICMAT 2007), July 2007, Singapore

Research paper thumbnail of  “Reinforcement of the Thermoplastic Vulcanizate based on maleated ethylene propylene rubber by aramid short fiber and nanosilica”, K.Chatterjee,IRMRA, Mumbai and K Naskar, IIT Kharagpur, India, International Rubber Conference & Expo- 2007 (IIRC-2007) Nov. 2007, Udaipur, India

Research paper thumbnail of  “A study on aramid short fiber and nanosilica reinforced Thermoplastic vulcanizates”, K.Chatterjee,IRMRA, Mumbai and K Naskar, IIT Kharagpur, India, International conference on rubber and rubber like materials (ICRRM – 2008), Jan 2008, Kharagpur, India

Research paper thumbnail of Study on characterization and properties of nanosilica-filled thermoplastic vulcanizates

Polymer Engineering & Science, 2008

Thermoplastic vulcanizates (TPVs) are a special class of thermoplastic elastomer, produced by sim... more Thermoplastic vulcanizates (TPVs) are a special class of thermoplastic elastomer, produced by simultaneously mixing and cross-linking a rubber with a thermoplastic at elevated temperature. Dicumyl peroxide-cured TPVs based on blends of maleated ethylene ...

Research paper thumbnail of Hydrogen storage in metal powder

Metal Powder Report

Using hydrogen as an energy carrier could help the world adopt renewable energy sources. However,... more Using hydrogen as an energy carrier could help the world adopt renewable energy sources. However, storing it effectively can be an issue. This article discusses the options available.

Research paper thumbnail of Computational materials discovery and development for Li and non-Li advanced battery chemistries

Journal of Electrochemical Science and Engineering

Since the discovery of batteries in the 1800s, their fascinating physical and chemical pro­pertie... more Since the discovery of batteries in the 1800s, their fascinating physical and chemical pro­perties have led to much research on their synthesis and manufacturing. Though lithium-ion batteries have been crucial for civilization, they can still not meet all the growing demands for energy storage because of the geographical distribution of lithium resources and the intrinsic limitations in the cell energy density, performance, and reliability issues. As a result, non-Li-ion batteries are becoming increasingly popular alternatives. Designing novel materials with desired properties is crucial for a quicker transition to the green energy ecosystem. Na, K, Mg, Zn, Al ion, etc. batteries are considered the most alluring and promising. This article covers all these Li, non-Li, and metal-air cell chemistries. Recently, com­putational screening has proven to be an effective tool to accelerate the discovery of active materials for all these cell types. First-principles methods such as density f...

Research paper thumbnail of Advanced Surface Engineering Approaches for Exotic Applications

International Journal of Precision Engineering and Manufacturing

Research paper thumbnail of Application of Ionic Liquids in Rechargeable Li-Ion Batteries: A Comprehensive Guide to Design, Synthesis and Computational Aspects

Industrial Applications of Ionic Liquids [Working Title]

The breathtaking pace of the development of smart and wearable gadgets, electric vehicles and man... more The breathtaking pace of the development of smart and wearable gadgets, electric vehicles and many other ultraportable devices has ushered into the era of rapid development of rechargeable batteries with enhanced safety, high-performance, high gravimetric and volumetric energy density. New battery chemistries are being constantly explored to identify better electrolytes that are environmental-friendly, nonflammable, reusable and most importantly ultra-customizable for high-performance applications. Ionic liquid, by virtue of its unique set of tunable properties, is a natural choice from both academic and industrial perspectives. A general guiding principle of ionic liquid synthesis proceeds via an appropriate selection of precursors from the ionic liquid toolbox and reaction with the alkyl halide followed by the metathesis or simple acid-base reaction yielding the final ionic liquid. This study is a complete and extensive treatise on the usage of the ionic liquids in the electrolyte...

Research paper thumbnail of New Thiourea-Based Ionic Liquid as an Electrolyte Additive to Improve Cell Safety and Enhance Electrochemical Performance in Lithium-Ion Batteries

Our society is critically dependent on lithium-ion batteries (LIBs) as a power source for portabl... more Our society is critically dependent on lithium-ion batteries (LIBs) as a power source for portable electronic gadgets. One of the major problems with these batteries is the degradation of the materials inside them. In addition to the reduced cell life, building-up of these degraded products inside the cells is very detrimental to the safe operation. Herein, we report the synthesis and characterization of a novel thiourea-based room temperature ionic liquid (IL), 3-heptyl-1-(3-(3-heptyl-3-phenylthioureido)propyl)-1H-imidazole-3-ium hexafluorophosphate. Its electrochemical and thermal properties including transport phenomena have been studied. It is proposed to be used as a nominal additive to commercially used electrolytes, ethylene carbonate and dimethyl carbonate mixtures. The comparative performance characteristics of the LIBs in the presence and the absence of this IL additive have been demonstrated with a traditional lithium nickel cobalt manganese oxide cathode (NMC111), a graphite anode, and an ethylene carbonate and di-methyl carbonate (1:1, v/v) electrolyte. It is further demonstrated that use of this electrolyte additive in batteries helps to address some of the major concerns of the conventional electrolytes such as safety issues and cycling performance as well as coulombic efficiency with enhanced discharge capacities.

Research paper thumbnail of Development of thermoplastic elastomers based on maleated ethylene propylene rubber (m-EPM) and polypropylene (PP) by dynamic vulcanization

Express Polymer Letters, 2007

Dicumyl peroxide (DCP)-cured thermoplastic vulcanizates (TPVs) based on blends of maleated ethyle... more Dicumyl peroxide (DCP)-cured thermoplastic vulcanizates (TPVs) based on blends of maleated ethylene propylene rubber (m-EPM) and polypropylene (PP) using maleated-PP as a compatibilizer have been developed. Physical properties of these TPVs change significantly with concentrations of DCP and rubber/plastic blend ratios. Important correlations were obtained from rheometer delta torque values with various physical properties of the TPVs like tension set and crosslink density etc. Wide angle X-ray diffraction study confirms that concentration of DCP has a strong influence on the crystallinity of PP, which might affect the final physical properties of TPVs. The recyclability and ageing characteristics of these TPVs are also found excellent.

Research paper thumbnail of Solvent extraction of plutonium(IV) in monoamide – ammonium ionic liquid mixture

Separation and Purification Technology, 2016

Abstract The extraction behavior of plutonium(IV) was studied in the room temperature ionic liqui... more Abstract The extraction behavior of plutonium(IV) was studied in the room temperature ionic liquid, trioctylmethylammonium bis(trifluoromethanesulfonyl)imide ([N 1888 ][NTf 2 ]) containing a monoamide, N,N- dihexyloctanamide (DHOA). The unusual extraction of Pu(IV) observed in this ionic liquid system was reported in this paper. The extraction behavior of plutonium(IV) was investigated as a function of various parameters, such as feed acid concentration, extractant and ionic liquid concentration, type of the extractants, equilibration time and temperature. Changing the extractant from DHOA to tri- n -butyl phosphate reduced the distribution ratio of Pu(IV). The extraction trend of Pu(IV) in neat [N 1888 ][NTf 2 ] was compared with those observed in other ionic liquids such as 1-alkyl-3-methylimidazolium bistriflimide ([C n mim][NTf 2 ]). Pu(IV) extraction in [N 1888 ][NTf 2 ] was found to follow a combination of anion exchange mechanism and neutral solvation pathway at feed acidities above 2 M HNO 3 . The extraction of Pu(IV) in DHOA/[N 1888 ][NTf 2 ] was also compared with those observed in a molecular diluent system, DHOA/ n -DD. All thermodynamic parameters governing the extraction of plutonium(IV) in [N 1888 ][NTf 2 ] was determined and discussed in detail. Stripping of Pu(IV) from the loaded ionic liquid phase was performed using dilute nitric acid.

Research paper thumbnail of  “Preparation, characterization and properties of Thermoplastic elastomer(TPE)/ nanosilica composites, K. Chatterjee and K.Naskar. IIT Kharagpur,India, International Conference on Materials for Advanced Technologies (ICMAT 2007), July 2007, Singapore

Research paper thumbnail of  “Reinforcement of the Thermoplastic Vulcanizate based on maleated ethylene propylene rubber by aramid short fiber and nanosilica”, K.Chatterjee,IRMRA, Mumbai and K Naskar, IIT Kharagpur, India, International Rubber Conference & Expo- 2007 (IIRC-2007) Nov. 2007, Udaipur, India

Research paper thumbnail of  “A study on aramid short fiber and nanosilica reinforced Thermoplastic vulcanizates”, K.Chatterjee,IRMRA, Mumbai and K Naskar, IIT Kharagpur, India, International conference on rubber and rubber like materials (ICRRM – 2008), Jan 2008, Kharagpur, India

Research paper thumbnail of Study on characterization and properties of nanosilica-filled thermoplastic vulcanizates

Polymer Engineering & Science, 2008

Thermoplastic vulcanizates (TPVs) are a special class of thermoplastic elastomer, produced by sim... more Thermoplastic vulcanizates (TPVs) are a special class of thermoplastic elastomer, produced by simultaneously mixing and cross-linking a rubber with a thermoplastic at elevated temperature. Dicumyl peroxide-cured TPVs based on blends of maleated ethylene ...

Research paper thumbnail of Hydrogen storage in metal powder

Metal Powder Report

Using hydrogen as an energy carrier could help the world adopt renewable energy sources. However,... more Using hydrogen as an energy carrier could help the world adopt renewable energy sources. However, storing it effectively can be an issue. This article discusses the options available.