Calculation of solvation free energies of Li+ and O2 − ions and neutral lithium–oxygen compounds in acetonitrile using mixed cluster/continuum models
出版年份 2012 全文链接
标题
Calculation of solvation free energies of Li+ and O2 − ions and neutral lithium–oxygen compounds in acetonitrile using mixed cluster/continuum models
作者
关键词
-
出版物
THEORETICAL CHEMISTRY ACCOUNTS
Volume 131, Issue 7, Pages -
出版商
Springer Nature
发表日期
2012-07-08
DOI
10.1007/s00214-012-1250-7
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。- Rechargeable Li-Air Batteries with Carbonate-Based Liquid Electrolytes
- (2012) Fuminori MIZUNO et al. ELECTROCHEMISTRY
- Design of Non-aqueous Liquid Electrolytes for Rechargeable Li-O2 Batteries
- (2012) Fuminori MIZUNO et al. ELECTROCHEMISTRY
- Investigation of oxygen reduction chemistry in ether and carbonate based electrolytes for Li–O2 batteries
- (2012) Hui Wang et al. ELECTROCHIMICA ACTA
- Li–O2 Battery with a Dimethylformamide Electrolyte
- (2012) Yuhui Chen et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- The Lithium-Oxygen Battery with Ether-Based Electrolytes
- (2011) Stefan A. Freunberger et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Oxygen Reactions in a Non-Aqueous Li+ Electrolyte
- (2011) Zhangquan Peng et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Methoxybenzene as an Electrolyte Solvent for the Primary Lithium Metal Air Battery
- (2011) Owen Crowther et al. ELECTROCHEMICAL AND SOLID STATE LETTERS
- Electrical conductivity in Li2O2 and its role in determining capacity limitations in non-aqueous Li-O2 batteries
- (2011) V. Viswanathan et al. JOURNAL OF CHEMICAL PHYSICS
- Predicting Solvent Stability in Aprotic Electrolyte Li–Air Batteries: Nucleophilic Substitution by the Superoxide Anion Radical (O2•–)
- (2011) Vyacheslav S. Bryantsev et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Spectroscopic Characterization of Solid Discharge Products in Li–Air Cells with Aprotic Carbonate Electrolytes
- (2011) Gabriel M. Veith et al. Journal of Physical Chemistry C
- Increased Stability Toward Oxygen Reduction Products for Lithium-Air Batteries with Oligoether-Functionalized Silane Electrolytes
- (2011) Zhengcheng Zhang et al. Journal of Physical Chemistry C
- Computational Study of the Mechanisms of Superoxide-Induced Decomposition of Organic Carbonate-Based Electrolytes
- (2011) Vyacheslav S. Bryantsev et al. Journal of Physical Chemistry Letters
- Solvents’ Critical Role in Nonaqueous Lithium–Oxygen Battery Electrochemistry
- (2011) B. D. McCloskey et al. Journal of Physical Chemistry Letters
- Investigation of the rechargeability of Li–O2 batteries in non-aqueous electrolyte
- (2011) Jie Xiao et al. JOURNAL OF POWER SOURCES
- Solvation of Metal Cations in Non-aqueous Liquids
- (2011) Michael J. Ziegler et al. JOURNAL OF SOLUTION CHEMISTRY
- Reactions in the Rechargeable Lithium–O2Battery with Alkyl Carbonate Electrolytes
- (2011) Stefan A. Freunberger et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- On the Efficacy of Electrocatalysis in Nonaqueous Li–O2Batteries
- (2011) Bryan D. McCloskey et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Lithium Peroxide Surfaces Are Metallic, While Lithium Oxide Surfaces Are Not
- (2011) Maxwell D. Radin et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Oxygen Reduction by Lithium on Model Carbon and Oxidized Carbon Structures
- (2011) Ye Xu et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- A Critical Review of Li/Air Batteries
- (2011) Jake Christensen et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- Li–O2 and Li–S batteries with high energy storage
- (2011) Peter G. Bruce et al. NATURE MATERIALS
- Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton
- (2010) Dominik Marx et al. CHEMICAL REVIEWS
- Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery
- (2010) J. S. Hummelshøj et al. JOURNAL OF CHEMICAL PHYSICS
- Influence of Nonaqueous Solvents on the Electrochemistry of Oxygen in the Rechargeable Lithium−Air Battery
- (2010) Cormac O. Laoire et al. Journal of Physical Chemistry C
- Lithium−Air Battery: Promise and Challenges
- (2010) G. Girishkumar et al. Journal of Physical Chemistry Letters
- Shells theory of solvation and the long-range Born correction
- (2010) Josefredo R. Pliego THEORETICAL CHEMISTRY ACCOUNTS
- Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters
- (2009) Vyacheslav S. Bryantsev et al. Journal of Chemical Theory and Computation
- Parameterization and Validation of Solvation Corrected Atomic Radii†
- (2009) Chun-Shan Zuo et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Computational Study of Copper(II) Complexation and Hydrolysis in Aqueous Solutions Using Mixed Cluster/Continuum Models
- (2009) Vyacheslav S. Bryantsev et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Directly Relating Reduction Energies of Gaseous Eu(H2O)n3+,n= 55−140, to Aqueous Solution: The Absolute SHE Potential and Real Proton Solvation Energy
- (2009) William A. Donald et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Conformational Analysis of Olefin−Carbene Ruthenium Metathesis Catalysts
- (2009) Diego Benitez et al. ORGANOMETALLICS
- A Universal Approach to Solvation Modeling
- (2008) Christopher J. Cramer et al. ACCOUNTS OF CHEMICAL RESEARCH
- Relevance of cis- and trans-dichloride Ru intermediates in Grubbs-II olefin metathesis catalysis (H2IMesCl2RuCHR)
- (2008) Diego Benitez et al. CHEMICAL COMMUNICATIONS
- Modeling the electrified solid–liquid interface
- (2008) Jan Rossmeisl et al. CHEMICAL PHYSICS LETTERS
- Growth pattern and electronic properties of acetonitrile clusters: A density functional study
- (2008) Sandeep Nigam et al. JOURNAL OF CHEMICAL PHYSICS
- Calculation of Solvation Free Energies of Charged Solutes Using Mixed Cluster/Continuum Models
- (2008) Vyacheslav S. Bryantsev et al. JOURNAL OF PHYSICAL CHEMISTRY B
- First-Principles Analysis of the Initial Electroreduction Steps of Oxygen over Pt(111)
- (2008) Michael J. Janik et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- A first-principles study of molecular oxygen dissociation at an electrode surface: a comparison of potential variation and coadsorption effects
- (2008) Sally A. Wasileski et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started