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Energy & Fuels: explore 35 source-linked works published from 2023 to 2024, with original documents and citations.

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Sources: osti. Collection updated 2026-09-14. Counts describe this index, not the complete source archives.

Effect of the Nature of Both Cation and Anion Substitution on the Structural Symmetry of Li‐Rich 3 d ‐Metal Chalcogenide Electrodes

Abstract Li‐rich layered chalcogenides have recently led to better understanding of the anionic redox process and its associated high capacity while providing ways to overcome its practical limitations of voltage fade and irreversibility. This study reports on the feasibility of triggering anionic activity in Li 2 TiS 3 , through anionic substitution (Se for S) or cationic substitution (Fe for Ti). Herein, the chalcogenide chemical space is further explored to prepare mono‐substituted Li 1.7 Ti 0.85 Mn 0.45 Ch 3 (Ch = S/Se) and doubly substituted cationic and anionic phases (Li 1.7 Ti 0.85 Fe 0.45 S 3‐z Se z ) which crystallize either in the O3‐ or O1‐type structures depending upon substituents. All series show a bell‐shape capacity variation as function of the transition metal (TM) substitution degree with values up to 240 mAh g −1 . For specific compositions, a structural O3 to O1 phase transition is observed upon Li removal, which is not reversible upon Li re‐insertion due to kinetic limitations and negatively affects long‐term cycling performance. Density functional theory (DFT) calculations confirm the O3/O1 relative stability along the different series and point subtle electronic differences in the TM‐doping, rationalizing the structural and electrochemical behaviors of these phases upon cycling. These findings provide further insights into the link between structural and electronic stability, which is of key importance for designing chalcogenide‐based anionic redox compounds.

Chemistry
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WorkPublishedSource identifierSource
Reactive silver inks: a path to solar cells with 82% less silver2024-01-01EE0008166osti
A rechargeable liquid metal–CO 2 battery for energy storage and CO 2 reduction to carbon2024-01-01FE0031765osti
Advancements in 2D MXene-based supercapacitor electrodes: synthesis, mechanisms, electronic structure engineering, flexible wearable energy storage for real-world applications, and future prospects2024-01-01SC0024072osti
Synergistic design of g-C 3 N 4 -supported CNTs: experimental and DFT insights for enhanced electrochemical performance in flexible Li–S batteries2024-01-01SC0021314osti
Auto-oxidation of redox electrodes for the selective recovery of platinum group metals2024-01-01SC0021409osti
Machine learning-assisted 3D printing of thermoelectric materials of ultrahigh performances at room temperature2024-01-01NE0009138; EE0009103osti
Engineering a zinc anode interphasial chemistry for acidic, alkaline and non-aqueous electrolytes2024-01-01AC02-06CH11357osti
Harnessing the power of thermoplastic elastomer-derived ordered mesoporous carbons through functionalization2024-01-01SC0012704osti
Water-enhanced CO 2 capture with molecular salt sodium guanidinate2024-01-01AC02-06CH11357osti
Effect of the Nature of Both Cation and Anion Substitution on the Structural Symmetry of Li‐Rich 3 d ‐Metal Chalcogenide Electrodes2023-10-20AC02-06CH11357osti
Explainable multi-agent deep reinforcement learning for real-time demand response towards sustainable manufacturing2023-10-01EE0009714osti
Utilization of Battery Electric Buses for the Resiliency of Islanded Microgrids2023-10-01AC05-76RL01830osti
Material and system development needs for widespread deployment of hydroxide exchange membrane fuel cells in light-duty vehicles2023-01-01AR0001034osti
Direct ocean capture: the emergence of electrochemical processes for oceanic carbon removal2023-01-01FE0032408osti
Broadening solid ionic conductor selection for sustainable and earth-abundant solid-state lithium metal batteries2023-01-01SC0021204; SC0012704osti
Distinct anharmonic characteristics of phonon-driven lattice thermal conductivity and thermal expansion in bulk MoSe 2 and WSe 22023-01-01SC0019978osti
Identifying structure-function relationships to modulate crossover in nonaqueous redox flow batteries2023-01-01AC02-06CH11357osti

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