This roadmap presents the transformational research ideas proposed by “BATTERY 2030+,” the European large‐scale research initiative for future battery chemistries. A “chemistry‐neutral” roadmap to advance battery research, particularly at low technology readiness levels, is outlined, with a time horizon of more than ten years. The roadmap is centered around six themes: 1) accelerated materials discovery platform, 2) battery interface genome, with the integration of smart functionalities such as 3) sensing and 4) self‐healing processes. Beyond chemistry related aspects also include crosscutting research regarding 5) manufacturability and 6) recyclability. This roadmap should be seen as an enabling complement to the global battery roadmaps which focus on expected ultrahigh battery performance, especially for the future of transport. Batteries are used in many applications and are considered to be one technology necessary to reach the climate goals. Currently the market is dominated by lithium‐ion batteries, which perform well, but despite new generations coming in the near future, they will soon approach their performance limits. Without major breakthroughs, battery performance and production requirements will not be sufficient to enable the building of a climate‐neutral society. Through this “chemistry neutral” approach a generic toolbox transforming the way batteries are developed, designed and manufactured, will be created.
An approach to the design of nido-carborane-based luminescent compounds that can exhibit thermally activated delayed fluorescence (TADF) is proposed. 7,8-Dicarba-nido-undecaboranes (nido-carboranes) having various 8-R groups (R=H, Me, i-Pr, Ph) are appended to the meta or para position of the phenyl ring of the dimesitylphenylborane (PhBMes ) acceptor, forming donor-acceptor compounds (nido-m1-m4 and nido-p1-p4). The bulky 8-R group and meta substitution of the nido-carborane are essential to attain a highly twisted arrangement between the donor and acceptor moieties, leading to a very small energy splitting between the singlet and triplet excited states (ΔE <0.05 eV for nido-m2, -m3, and -p3). These compounds exhibit efficient TADF with microsecond-range lifetimes. In particular, nido-m2 and -m3 display aggregation-induced emission (AIE) with TADF properties.
Here we report the synthesis, structure and porous properties of a 3D pillared-layer porous framework of Mn(ii)-Mn(iii), {[Mn(bipy)(HO)][Mn(CN)]·2(bipy)·4HO} (1). The guest-removed framework (1a) shows significant uptake of CH, whereas it excludes the other two C2 hydrocarbons (CH and CH). Furthermore, excellent separation proficiency for CH from a mixture of CH and CH (1 : 99, v/v) is realized in a breakthrough column experiment under ambient conditions.
Two newly synthesized Schiff base molecules are herein reported as anion sensors. -NO2 substituted receptor (P1) is comparatively more acidic and can sense F(-), OAc(-) and H2PO4(-), whereas -CN substituted receptor (P2) is less acidic and is selective for F(-) only. Reversible UV-Vis response for both receptors with F(-) can mimic multiple logic gate functions, and several complex electronic circuits based on XNOR, XOR, OR, AND, NOT and NOR logic operations with 'Write-Read-Erase-Read' options have been executed. Interesting 'turn on and off' fluorescence responses were noticed for the receptors with F(-). Intracellular F(-) detection as a diagnosis of non-skeletal fluorosis was successful using a fluorescence microscope with Candida albicans (prokaryotic cell, a diploid fungus) and pollen grains of Tecoma stans (eukaryotic cell) incubated in 10(-6) M fluoride-contaminated hand-pump water collected from Bankura, West Bengal, India. Furthermore, a solution test kit was fabricated for easy and selective detection of F(-) in an aqueous solvent.
The
progress of ecofriendly, clean, and sustainable energy resources
always demands suitable anode materials for batteries with high structural
stability and superior storage capacity. Herein, we use density functional
theory predictions to examine the potential features of newly proposed
planar membranes consist of 5-, 6- and 8- membered carbon rings, named
as α- and β-phographene (PhoG). Our calculations disclose
that both α- and β-PhoG structures possess high structural,
thermal, and mechanical stability with intrinsic metallic characteristics.
We have further extended our calculations of PhoG as a suitable anode
material for use in Lithium-ion batteries. Our results reveal the
Li adsorption in PhoG is exothermic and the α-PhoG show a higher
theoretical specific capacity of Li2.4C6 for
Li atoms (892 mAh g–1) compared to the LiC6 of graphite. We also found that both the α- and β-PhoG
structures show fast Li mobility with a low diffusion barrier for
Li atoms (<0.30 eV) as well as low average open circuit voltage
(∼0.26 V). Our findings show that both the PhoG structures,
especially α-PhoG, are suitable anode candidates for use in
future Li-ion batteries owing to the metallic characteristic combined
with the low open circuit voltage, low diffusion barrier, high Li
storage capacity, and high thermo-mechanical stability. Our results
would supply guidelines to develop better high-capacity anode materials
for future Li-ion batteries.
Lithium‐ion batteries (LIBs) are a widely used battery technology. During the initial LIB cycle, a passivation layer, called the solid electrolyte interphase (SEI), forms on the anode surface, which plays a crucial role in the performance and long‐term cyclability of LIBs. The overall mesoscale mechanisms of SEI formation and its composition remain elusive both in experimental and computational approaches. Here a multiscale approach to comprehensively characterize the growth and composition of the SEI based on a chemistry‐specific reaction network is presented. Generating an ensemble of over 50 000 simulations representing different reaction conditions, it is found that the organic SEI forms and grows in a solution‐mediated pathway by aggregation of SEI precursors far away from the surface via a nucleation process. The subsequent rapid growth of these nuclei leads to the formation of a porous layer that eventually covers the surface. This finding offers a solution to the paradoxical situation that SEI constituents can form only near the surface, where electrons are available, but does not stop growing when this narrow region is covered. The study is able to identify the key reaction parameters that determine SEI thickness, which pave the way to optimize battery performance and lifetime.
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