Probing the potential of halogen-free superhalogen anions as effective electrolytes of Li-ion batteries: a theoretical prospect from combined ab initio and DFT studies
出版年份 2016 全文链接
标题
Probing the potential of halogen-free superhalogen anions as effective electrolytes of Li-ion batteries: a theoretical prospect from combined ab initio and DFT studies
作者
关键词
-
出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 41, Pages 28576-28584
出版商
Royal Society of Chemistry (RSC)
发表日期
2016-09-25
DOI
10.1039/c6cp05871j
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Stability of B12 (CN)12 2− : Implications for Lithium and Magnesium Ion Batteries
- (2016) Hongmin Zhao et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Superhalogens as building blocks of complex hydrides for hydrogen storage
- (2016) Ambrish Kumar Srivastava et al. ELECTROCHEMISTRY COMMUNICATIONS
- Could the description on polynuclear superhalogens by DFT be comparable with high-level ab initio results? A comparison between DFT and CCSD(T)
- (2016) Yin-Yin Sun et al. JOURNAL OF CHEMICAL PHYSICS
- Toward Accurate Modeling of the Effect of Ion-Pair Formation on Solute Redox Potential
- (2016) Xiaohui Qu et al. Journal of Chemical Theory and Computation
- Insights into Bulk Electrolyte Effects on the Operative Voltage of Electrochemical Double-Layer Capacitors
- (2016) Promit Ray et al. Journal of Physical Chemistry C
- Designing new electrolytic salts for Lithium Ion Batteries using superhalogen anions
- (2016) Ambrish Kumar Srivastava et al. POLYHEDRON
- An Efficient Halogen-Free Electrolyte for Use in Rechargeable Magnesium Batteries
- (2015) Oscar Tutusaus et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Understanding the Initial Stages of Reversible Mg Deposition and Stripping in Inorganic Nonaqueous Electrolytes
- (2015) Pieremanuele Canepa et al. CHEMISTRY OF MATERIALS
- Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2(CN)5]−1Anions
- (2015) Jin-Feng Li et al. CHEMPHYSCHEM
- Elucidating the structure of the magnesium aluminum chloride complex electrolyte for magnesium-ion batteries
- (2015) Pieremanuele Canepa et al. Energy & Environmental Science
- Unparalleled lithium and sodium superionic conduction in solid electrolytes with large monovalent cage-like anions
- (2015) Wan Si Tang et al. Energy & Environmental Science
- Superhalogens: A Bridge between Complex Metal Hydrides and Li Ion Batteries
- (2015) Puru Jena Journal of Physical Chemistry Letters
- The Coupling between Stability and Ion Pair Formation in Magnesium Electrolytes from First-Principles Quantum Mechanics and Classical Molecular Dynamics
- (2015) Nav Nidhi Rajput et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Review—Advances in Anode and Electrolyte Materials for the Progress of Lithium-Ion and beyond Lithium-Ion Batteries
- (2015) Jusef Hassoun et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- Are superhalogens without halogen ligand capable of transcending traditional halogen-based superhalogens? Ab initio case study of binuclear anions based on pseudohalogen ligand
- (2015) Jin-Feng Li et al. AIP Advances
- Superhalogens as Building Blocks of Halogen-Free Electrolytes in Lithium-Ion Batteries
- (2014) Santanab Giri et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands
- (2014) Bing Yin et al. JOURNAL OF CHEMICAL PHYSICS
- Superalkalis and Superhalogens As Building Blocks of Supersalts
- (2014) Santanab Giri et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Are trinuclear superhalogens promising candidates for building blocks of novel magnetic materials? A theoretical prospect from combined broken-symmetry density functional theory and ab initio study
- (2013) Yang Yu et al. JOURNAL OF CHEMICAL PHYSICS
- Nitrate Superhalogens as Building Blocks of Hypersalts
- (2013) Swayamprabha Behera et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations
- (2011) Shyue Ping Ong et al. CHEMISTRY OF MATERIALS
- Borane Derivatives: A New Class of Super- and Hyperhalogens
- (2011) Biswarup Pathak et al. CHEMPHYSCHEM
- Au(CN)nComplexes: Superhalogens with Pseudohalogen as Building Blocks
- (2011) Devleena Samanta et al. INORGANIC CHEMISTRY
- Potential candidates for hyperhalogens: A comparative study of BO2, AlO2, and VO3 species
- (2011) Kalpataru Pradhan et al. JOURNAL OF CHEMICAL PHYSICS
- Structure and properties of the aluminum borates Al(BO2)n and Al(BO2)n−, (n = 1-4)
- (2011) Gennady L. Gutsev et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Multiwfn: A multifunctional wavefunction analyzer
- (2011) Tian Lu et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Hyperhalogens: Discovery of a New Class of Highly Electronegative Species
- (2010) Mary Willis et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Origin of the Unusual Properties of Aun(BO2) Clusters
- (2010) Matthias Götz et al. CHEMPHYSCHEM
- LiPF6 and lithium oxalyldifluoroborate blend salts electrolyte for LiFePO4/artificial graphite lithium-ion cells
- (2010) Zhian Zhang et al. JOURNAL OF POWER SOURCES
- Challenges for Rechargeable Li Batteries†
- (2009) John B. Goodenough et al. CHEMISTRY OF MATERIALS
- Highly Accurate First-Principles Benchmark Data Sets for the Parametrization and Validation of Density Functional and Other Approximate Methods. Derivation of a Robust, Generally Applicable, Double-Hybrid Functional for Thermochemistry and Thermochemical Kinetics†
- (2008) Amir Karton et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
- (2008) Jeng-Da Chai et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Electrochemical absorption effect of BF4 anion salt on SEI layer formation
- (2008) Cheolsoo Jung SOLID STATE IONICS
- Double-Hybrid Functionals for Thermochemical Kinetics
- (2007) Alex Tarnopolsky et al. JOURNAL OF PHYSICAL CHEMISTRY A
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now