Assessing the Performance of Al12N12 and Al12P12 Nanostructured Materials for Alkali Metal Ion (Li, Na, K) Batteries
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Title
Assessing the Performance of Al12N12 and Al12P12 Nanostructured Materials for Alkali Metal Ion (Li, Na, K) Batteries
Authors
Keywords
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Journal
ACS Omega
Volume 7, Issue 50, Pages 46183-46202
Publisher
American Chemical Society (ACS)
Online
2022-12-08
DOI
10.1021/acsomega.2c04319
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- (2022) ThankGod C. Egemonye et al. Arabian Journal of Chemistry
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- (2022) Uzitem J. Undiandeye et al. JOURNAL OF THE INDIAN CHEMICAL SOCIETY
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- (2022) Hitler Louis et al. Materials Today Communications
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- (2022) Innocent Benjamin et al. JOURNAL OF MOLECULAR STRUCTURE
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- (2021) Mozhdeh Shabani et al. MAIN GROUP CHEMISTRY
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- (2021) Paul A. Christensen et al. RENEWABLE & SUSTAINABLE ENERGY REVIEWS
- Two-Dimensional Infrared Correlation Spectroscopy, Conductor-like Screening Model for Real Solvents, and Density Functional Theory Study on the Adsorption Mechanism of Polyvinylpolypyrrolidone for Effective Phenol Removal in an Aqueous Medium
- (2021) Muhammad Ammar Mohammad Alwi et al. ACS Omega
- Sulfation of Diethylaminoethyl-Cellulose: QTAIM Topological Analysis and Experimental and DFT Studies of the Properties
- (2021) Aleksandr Kazachenko et al. ACS Omega
- Understanding the lithiation mechanisms of pyrenetetrone-based carbonyl compound as cathode material for lithium-ion battery: Insight from first principle density functional theory
- (2021) Hitler Louis et al. MATERIALS CHEMISTRY AND PHYSICS
- Double hybrids and time‐dependent density functional theory: An implementation and benchmark on charge transfer excited states
- (2020) Alistar Ottochian et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- In Situ X-ray Diffraction and X-ray Absorption Spectroscopic Studies of a Lithium-Rich Layered Positive Electrode Material: Comparison of Composite and Core–Shell Structures
- (2020) Cyril Osereme Ehi-Eromosele et al. ACS Applied Materials & Interfaces
- Connecting the surface structure, morphology and photocatalytic activity of Ag2O: An in depth and unified theoretical investigation
- (2020) R.A.P. Ribeiro et al. APPLIED SURFACE SCIENCE
- Charge-Sensitive Cluster−π Interactions Cause Altered Reactivity of Aln±,0 Clusters with Benzene: Enhanced Stability of Al13+Bz
- (2020) Mengzhou Yang et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Investigation of alkali-ion (Li, Na and K) intercalation in manganese hexacyanoferrate KxMnFe(CN)6 as cathode material
- (2020) Yun Tang et al. CHEMICAL ENGINEERING JOURNAL
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- (2020) Ehab Salih et al. SUPERLATTICES AND MICROSTRUCTURES
- Promises and Challenges of Next-Generation “Beyond Li-ion” Batteries for Electric Vehicles and Grid Decarbonization
- (2020) Yaosen Tian et al. CHEMICAL REVIEWS
- Optimizing the electrochemical performance of Li2MnO3 cathode materials for Li-ion battery using solution combustion synthesis: Higher temperature and longer syntheses improves performance
- (2020) Cyril O. Ehi-Eromosele et al. JOURNAL OF ALLOYS AND COMPOUNDS
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- (2019) S. Herbers et al. JOURNAL OF CHEMICAL PHYSICS
- NBO 7.0 : New vistas in localized and delocalized chemical bonding theory
- (2019) Eric D. Glendening et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- A review of lithium ion battery failure mechanisms and fire prevention strategies
- (2019) Qingsong Wang et al. PROGRESS IN ENERGY AND COMBUSTION SCIENCE
- Non-covalent interactions and spectroscopic study of chalcone derivative 1-(4-chlorophenyl)-3-(5-methylfuran-2-yl) prop-2-en-1-one
- (2019) Seema Shukla et al. JOURNAL OF MOLECULAR STRUCTURE
- The effect of electric field on the cell voltage of inorganic AlN nanosheet based Na–ion batteries
- (2018) Maziar Noei et al. INORGANIC CHEMISTRY COMMUNICATIONS
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- (2018) Himanshu Goel et al. JOURNAL OF CHEMICAL PHYSICS
- Theoretical investigation of the use of nanocages with an adsorbed halogen atom as anode materials in metal-ion batteries
- (2018) Razieh Razavi et al. JOURNAL OF MOLECULAR MODELING
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- (2018) Christian R. Wick et al. JOURNAL OF MOLECULAR MODELING
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- (2018) Xiaokang Ju et al. ACS Sustainable Chemistry & Engineering
- Assessing the relative stability of copper oxide clusters as active sites of a CuMOR zeolite for methane to methanol conversion: size matters?
- (2017) Dennis Palagin et al. Nanoscale
- DFT studies of stabilities and properties for X 3 Y 6 Z 9 borazine–like structures (X= B/Al, Y= N/P, Z= H/Me)
- (2017) Kun Harismah et al. SUPERLATTICES AND MICROSTRUCTURES
- Review on High-Loading and High-Energy Lithium-Sulfur Batteries
- (2017) Hong-Jie Peng et al. Advanced Energy Materials
- 2D Materials Beyond Graphene for High-Performance Energy Storage Applications
- (2016) Xiaoyan Zhang et al. Advanced Energy Materials
- A comparative examination of density functional performance against the ISOL24/11 isomerization energy benchmark
- (2016) Sierra Rayne et al. Computational and Theoretical Chemistry
- Importance of weak interactions and conformational equilibrium in N -butyl- N -methylpiperidinium bis(trifluromethanesulfonyl) imide room temperature ionic liquids: Vibrational and theoretical studies
- (2014) Madhulata Shukla et al. VIBRATIONAL SPECTROSCOPY
- Chemical shielding properties for BN, BP, AlN, and AlP nanocones: DFT studies
- (2012) Mahmoud Mirzaei et al. SUPERLATTICES AND MICROSTRUCTURES
- Multiwfn: A multifunctional wavefunction analyzer
- (2011) Tian Lu et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
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- (2011) Barbara Bankiewicz et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Determination of Ensemble-Average Pairwise Root Mean-Square Deviation from Experimental B-Factors
- (2010) Antonija Kuzmanic et al. BIOPHYSICAL JOURNAL
- cclib: A library for package-independent computational chemistry algorithms
- (2007) Noel M. O'boyle et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
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