Voltage stabilization of Sn-doped anatase for Li-ion battery applications predicted by DFT calculations
Sign Up to like & getrecommendations! Published in 2019 at "Materials Chemistry and Physics"
DOI: 10.1016/j.matchemphys.2019.02.020
Abstract: Abstract We have studied the effects of Sn substitutional doping in anatase using a screened exchange density functional. We observe almost no change in the electronic structure of anatase and only small changes in morphology… read more here.
Keywords: anatase ion; voltage stabilization; stabilization doped; battery applications ... See more keywords
Modeling and Simulation of Concentrated Aqueous Solutions of LiTFSI for Battery Applications
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.0c02187
Abstract: We propose a new non-polarizable molecular mechanics force field for concentrated aqueous solutions of lithium bistriflylimide (LiTFSI), a promising candidate for battery applications. The model de... read more here.
Keywords: modeling simulation; aqueous solutions; battery applications; simulation concentrated ... See more keywords
Fracture behavior of metallic sodium and implications for battery applications.
Sign Up to like & getrecommendations! Published in 2022 at "Materials horizons"
DOI: 10.1039/d2mh01021f
Abstract: Sodium metal has emerged as a candidate anode material in rechargeable batteries owing to its high theoretical capacity, low standard reduction potential, and abundance in the earth's crust. Prior to practical deployment, it is critical… read more here.
Keywords: metallic sodium; sodium; battery applications; behavior metallic ... See more keywords
Opportunities and challenges for 2D heterostructures in battery applications: a computational perspective
Sign Up to like & getrecommendations! Published in 2022 at "Nanotechnology"
DOI: 10.1088/1361-6528/ac61c9
Abstract: With an increasing demand for large-scale energy storage systems, there is a need for novel electrode materials to store energy in batteries efficiently. 2D materials are promising as electrode materials for battery applications. Despite their… read more here.
Keywords: perspective; heterostructures battery; battery; opportunities challenges ... See more keywords
Nanomaterials for Ion Battery Applications
Sign Up to like & getrecommendations! Published in 2022 at "Nanomaterials"
DOI: 10.3390/nano12132293
Abstract: Nanomaterials offer opportunities to improve battery performance in terms of energy density and electrochemical reaction kinetics owing to a significant increase in the effective surface area of electrodes and reduced ion diffusion pathways [...]. read more here.
Keywords: battery applications; battery; ion battery; nanomaterials ion ... See more keywords
Comparative Analysis of LiMPO4 (M = Fe, Co, Cr, Mn, V) as Cathode Materials for Lithium-Ion Battery Applications—A First-Principle-Based Theoretical Approach
Sign Up to like & getrecommendations! Published in 2022 at "Nanomaterials"
DOI: 10.3390/nano12193266
Abstract: The rapidly increasing demand for energy storage has been consistently driving the exploration of different materials for Li-ion batteries, where the olivine lithium-metal phosphates (LiMPO4) are considered one of the most potential candidates for cathode-electrode… read more here.
Keywords: lithium ion; design; ion battery; first principle ... See more keywords
Designing Versatile Polymers for Lithium-Ion Battery Applications: A Review
Sign Up to like & getrecommendations! Published in 2022 at "Polymers"
DOI: 10.3390/polym14030403
Abstract: Solid-state electrolytes are a promising family of materials for the next generation of high-energy rechargeable lithium batteries. Polymer electrolytes (PEs) have been widely investigated due to their main advantages, which include easy processability, high safety,… read more here.
Keywords: designing versatile; lithium ion; ion battery; versatile polymers ... See more keywords