02617nas a2200253 4500008004100000022001400041245008400055210007000139260000800209490000700217520178600224653001202010653001302022653001902035653001702054653003102071100001802102700002502120700002402145700002002169700003002189700003002219856011402249 2023 eng d a1433-785100aIsomer effect on energy storage of π-extended S-shaped double[6]heterohelicene0 aIsomer effect on energy storage of πextended Sshaped double6hete cNOV0 v623 a

Recently, chiral and nonplanar cutouts of graphene have been the favorites due to their unique optical, electronic, and redox properties and high solubility compared with their planar counterparts. Despite the remarkable progress in helicenes, pi-extended heterohelicenes have not been widely explored. As an anode in a lithium-ion battery, the racemic mixture of pi-extended double heterohelical nanographene containing thienothiophene core exhibited a high lithium storage capability, attaining a specific capacity of 424 mAh g-1 at 0.1 A g-1 with excellent rate capability and superior long-term cycling performance over 6000 cycles with negligible fade. As a first report, the pi-extended helicene isomer (PP and MM), with the more interlayer distance that helps faster diffusion of ions, has exhibited a high capacity of 300 mAh g-1 at 2 A g-1 with long-term cycling performance over 1500 cycles compared to the less performing MP and PM isomer and racemic mixture (150 mAh g-1 at 2 A g-1). As supported by single-crystal X-ray analysis, a unique molecular design of nanographenes with a fixed (helical) molecular geometry, avoiding restacking of the layers, renders better performance as an anode in lithium-ion batteries. Interestingly, the recycled nanographene anode material displayed comparable performance. A pi-extended double heterohelical nanographene of thienothiophene core fused with two hexabenzocoronene units exhibits excellent performance as an anode in a lithium-ion battery. The isomer (PP and MM) with more interlayer distance exhibited a high lithium storage capability compared to the other isomer and racemic mixture. Helical nanographene anodes display excellent rate capability, superior long-term cycling performance, and recyclability.image

10aBattery10agraphene10aLi-ion battery10ananographene10aOrganic Electrode Material1 aKumar, Viksit1 aBharathkumar, H., J.1 aDongre, Sangram, D.1 aGonnade, Rajesh1 aKrishnamoorthy, Kothandam1 aBabu, Sukumaran, Santhosh uhttp://library.ncl.res.in/content/isomer-effect-energy-storage-%CF%80-extended-s-shaped-double6heterohelicene02229nas a2200217 4500008004100000022001400041245010100055210006900156260000900225490000700234520148200241653001601723653001301739653001901752653001901771653001701790100002301807700002501830700003001855856012601885 2023 eng d a2196-021600aLinear polymer comprising dual functionalities with hierarchical pores for lithium ion batteries0 aLinear polymer comprising dual functionalities with hierarchical cOCT 0 v103 a

Organic materials with carbonyl, azo, nitrile and imine moieties are widely used in lithium batteries. The solubility of these materials in battery electrolytes is an issue. Aggregation of the organic molecules can suppress the solubility, but the accessibility of lithium-ion is hindered. Therefore, insoluble porous organic materials are desired. Herein, we synthesized a linear polymer with carbonyl and azo functionalities. Due to the presence of easily isomerizable azo moiety, a porous polymer was obtained. The polymer showed nano and micropores. The battery with the porous polymer showed an impressive specific capacity of 400 mA h/g at 0.2 A/g. If the battery is pre-conditioned, the specific capacity increased to 615 mA h/g at the same current density. The post-mortem analysis of the battery confirmed that the polymer didn't dissolve in the battery electrolyte. The control material is a small molecule with carbonyl and azo moieties that showed a poor specific capacity of 40 mA h/g indicating the necessity to have a hierarchically porous dual-functional polymer. Polymers for batteries: A linear polymer with micro and Nano pores with azo and carbonyl functionalities renders increased accessibility to Li ions after preconditioning. During charge-discharge experiment Azo-Carb-PDI electrode had impressive discharge capacity of 469 mA h/g after 500 cycle which is almost 15 times higher than the monomer (Azo-PDI-Azo, 30 mA h/g after 100 cycle).image

10aazo polymer10acarbonyl10aLi-ion battery10aporous polymer10aRylene-imide1 aAher, Jagadish, D.1 aPalani, Sathishkumar1 aKrishnamoorthy, Kothandam uhttp://library.ncl.res.in/content/linear-polymer-comprising-dual-functionalities-hierarchical-pores-lithium-ion-batteries02973nas a2200253 4500008004100000022001400041245015100055210006900206260000800275300001400283490000600297520205900303653001902362653002502381653001302406653001902419653002102438100002402459700002902483700002002512700002602532700003002558856013102588 2025 eng d a2637-610500aLong cycling stability imparted to li-ion batteries by conjugated polymers with low dihedral angles and high electron density on functional groups0 aLong cycling stability imparted to liion batteries by conjugated cJUN a7719-77280 v73 a

In conjugated polymers, dihedral angles at bonds connecting their monomers impact the polymers' properties such as the packing of the polymer chains, bandgap, and conductivity. These properties are expected to impact the performance of rechargeable Li-ion batteries because the Li-ion transport and conductivity of the polymers are two important parameters. To understand this, we designed and synthesized two polymers with two different dihedral angles. The polymer, Poly(EDOT-DPP), comprising diketopyrrolopyrrole (DPP) and ethylenedioxythiophene (EDOT) as monomers, showed a low dihedral angle of 2 degrees. On the other hand, the polymer, Poly(EDOT-i-Ind), comprising EDOT and i-Indigo (i-Ind) showed a dihedral angle of 17 degrees. Density functional theory (DFT) studies showed that the electron density at the carbonyl moiety of EDOT-DPP is higher than that of EDOT-i-Ind. This resulted in a higher Li+ binding energy of -3.665 eV for EDOT-DPP and a lower Li+ binding energy of -3.464 eV for EDOT-i-Ind. Battery electrodes were fabricated using either Poly(EDOT-DPP) or Poly(EDOT-i-Ind) with multiwalled carbon nanotubes as conducting fillers in the absence of any binders. The Li+ ion diffusion coefficient ( D Li + ) measured for the as prepared batteries based on Poly(EDOT-DPP) was found to be 3.9 x 10-19 cm2/s, which is slightly higher than that found for Poly(EDOT-i-Ind). However, after 2000 cycles, the D Li + increased by about two orders of magnitude for both polymers. Due to the low dihedral angle in the case of Poly(EDOT-DPP), the D Li + was found to be 21% higher than that of Poly(EDOT-i-Ind). The higher binding of Li+ ions with Poly(EDOT-DPP) and Li+ ion diffusion improved the specific capacity and cycling performance of batteries fabricated with this polymer. At a current density of 0.2 A/g, Poly(EDOT-DPP) showed a 39% higher specific capacity than the Poly(EDOT-i-Ind) polymer after 2000 cycles. The batteries also showed stable performance over 2000 cycles with an insignificant decrease in specific capacity.

10adihedral angle10adiketopyrrolopyrrole10ai-indigo10aLi-ion battery10aLi-ion transport1 aKargude, Radhakisan1 aSrinivasalu, Hari, Haran1 aDevasia, George1 aKrishnamurty, Sailaja1 aKrishnamoorthy, Kothandam uhttp://library.ncl.res.in/content/long-cycling-stability-imparted-li-ion-batteries-conjugated-polymers-low-dihedral-angles-and