An ab initio investigation of Li2M0.5N0.5SiO4 (M, N = Mn, Fe, Co Ni) as Li-ion battery cathode materials
Literature Information
Sirous Asgari, Doretta Capsoni, Piercarlo Mustarelli
Li2MSiO4 (M = Fe, Mn, etc.) are promising cathode materials for Li-ion batteries. One appealing strategy for improving their cathode properties is to develop mixed transition metal compounds. Density Functional Theory calculations were performed to evaluate the structural, magnetic and electrochemical properties of Li2M0.5N0.5SiO4 compounds. Our theoretical study allows us to individuate the most promising candidates for practical applications in lithium batteries.
Recommended Journals

Journal of Heterocyclic Chemistry

Molecular Pharmacology

Proceedings of the National Academy of Sciences of the United States of America

Science Progress

Journal of Physics and Chemistry of Solids

Journal of Medicinal Chemistry

Planta Medica

Organic Preparations and Procedures International

Nature

European Journal of Wood and Wood Products
Related Literature
Accurate and rapid microfluidic ELISA to monitor Infliximab titers in patients with inflammatory bowel diseases
Virginia Chu, João Gonçalves
DOI: 10.1039/D1AN01810H
Retraction: A battle between spherical and cube-shaped Ag/AgCl nanoparticle modified imprinted polymer to achieve femtogram detection of alpha-feto protein
DOI: 10.1039/C8TB90176G
Development and comparison of various rod-shaped mini-reference electrode compositions based on Ag/AgCl for potentiometric applications
Mustafa Nigde, Ismail Agir, Rıdvan Yıldırım, Ibrahim Isildak
DOI: 10.1039/D1AN01754C
An overview of recent developments in the determination of aluminium in serum by furnace atomic absorption spectrometry
DOI: 10.1039/JA9860100281
A highly sensitive electrochemical microRNA-21 biosensor based on intercalating methylene blue signal amplification and a highly dispersed gold nanoparticles/graphene/polypyrrole composite
Noppadol Aroonyadet, Suwussa Bamrungsap
DOI: 10.1039/D1AN00116G
Biomolecules-conjugated nanomaterials for targeted cancer therapy
Jian Wang, Ting Ting Wang, Peng Fei Gao, Cheng Zhi Huang
DOI: 10.1039/C4TB01263A
Rational design of stable heptamethine cyanines and development of a biomarker-activatable probe for detecting acute lung/kidney injuries via NIR-II fluorescence imaging
Juan Ouyang, Lihe Sun, Fang Zeng, Shuizhu Wu
DOI: 10.1039/D1AN02183D
Viscosity sensitive endoplasmic reticulum fluorescent probes based on oxazolopyridinium
Ya-Nan Wang, Xiao-Qing Zhang, Ru Sun, Yu-Jie Xu, Jian-Feng Ge
DOI: 10.1039/D1TB01106E
A miniaturized giant magnetic resistance system for quantitative detection of methamphetamine
Guopan Yang, Kunxue Cheng, Zhengkang Chu, Chunhui Ren, Yusheng Fu, Jinhong Guo
DOI: 10.1039/D0AN02418J
You might also like
What is the market or research trend for N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0)?
N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0) is increasingly being used ...
What precautions should be taken when handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate (CAS: 1050507-06-6)?
When handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate, appropriate p...
What regulatory guidelines apply to diethyldiselane (CAS: 628-39-7)?
Diethyldiselane (CAS: 628-39-7) is classified under the Globally Harmonized Syst...
What is the market or research trend for oxocopper (CAS: 12053-18-8)?
The market for oxocopper (CAS: 12053-18-8) is primarily driven by its use in cat...
What is the market or research trend for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-carboxylic acid?
The market for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-c...
What is 2-(1-Pyrrolidinyl)-4-pyridinamine (CAS: 35981-63-6)?
2-(1-Pyrrolidinyl)-4-pyridinamine is a chemical compound with the CAS number 359...
What are the physical and chemical properties of 2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1)?
2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1) is a crystalline sol...
How is (S)-Alpha-allyl-proline hydrochloride (CAS: 129704-91-2) typically synthesized?
(S)-Alpha-allyl-proline hydrochloride is usually synthesized via a Wittig reacti...
What is 3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5)?
3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5) is an organic compound w...
How is Lys-SMCC-DM1 (CAS: 1281816-04-3) typically synthesized?
Lys-SMCC-DM1 is synthesized via a multi-step process involving the coupling of S...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.



![1-oxaspiro[4.4]nonan-6-one structure 1-oxaspiro[4.4]nonan-6-one structure](https://static.chemtradehub.com/structs/134/134179-01-4-e051.webp)
![1-[6-(1H-Imidazol-1-yl)-3-pyridinyl]methanamine structure 1-[6-(1H-Imidazol-1-yl)-3-pyridinyl]methanamine structure](https://static.chemtradehub.com/structs/914/914637-08-4-8825.webp)