Comparative study of density functionals for the description of lithium-graphite intercalation compounds
出版年份 2019 全文链接
标题
Comparative study of density functionals for the description of lithium-graphite intercalation compounds
作者
关键词
-
出版物
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume -, Issue -, Pages -
出版商
Wiley
发表日期
2019-06-30
DOI
10.1002/jcc.26017
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。- Volume Changes of Graphite Anodes Revisited: A Combined Operando X-ray Diffraction and In Situ Pressure Analysis Study
- (2018) Simon Schweidler et al. Journal of Physical Chemistry C
- Model of Lithium Intercalation into Graphite by Potentiometric Analysis with Equilibrium and Entropy Change Curves of Graphite Electrode
- (2018) David Allart et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- Review of electrical energy storage technologies, materials and systems: challenges and prospects for large-scale grid storage
- (2018) Turgut M. Gür Energy & Environmental Science
- Robust high-fidelity DFT study of the lithium-graphite phase diagram
- (2018) Vikram Pande et al. PHYSICAL REVIEW MATERIALS
- Comparison of Lithium-Ion Anode Materials Using an Experimentally Verified Physics-Based Electrochemical Model
- (2017) Rujian Fu et al. Energies
- Why is sodium-intercalated graphite unstable?
- (2017) Hiroki Moriwake et al. RSC Advances
- Origin of low sodium capacity in graphite and generally weak substrate binding of Na and Mg among alkali and alkaline earth metals
- (2016) Yuanyue Liu et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Van der Waals density functional theory study for bulk solids with BCC, FCC, and diamond structures
- (2015) Jinwoo Park et al. CURRENT APPLIED PHYSICS
- Li-ion battery materials: present and future
- (2015) Naoki Nitta et al. Materials Today
- Problems, successes and challenges for the application of dispersion-corrected density-functional theory combined with dispersion-based implicit solvent models to large-scale hydrophobic self-assembly and polymorphism
- (2015) Jeffrey R. Reimers et al. MOLECULAR SIMULATION
- Structural diversity in lithium carbides
- (2015) Yangzheng Lin et al. PHYSICAL REVIEW B
- van der Waals dispersion interactions in molecular materials: beyond pairwise additivity
- (2015) Anthony M. Reilly et al. Chemical Science
- Alloy Negative Electrodes for Li-Ion Batteries
- (2014) M. N. Obrovac et al. CHEMICAL REVIEWS
- Theoretical Study of Li Migration in Lithium–Graphite Intercalation Compounds with Dispersion-Corrected DFT Methods
- (2014) Sascha Thinius et al. Journal of Physical Chemistry C
- Understanding structural changes in NMC Li-ion cells by in situ neutron diffraction
- (2014) O. Dolotko et al. JOURNAL OF POWER SOURCES
- Alternative Natrium
- (2014) Philipp Adelhelm NACHRICHTEN AUS DER CHEMIE
- Li intercalation in graphite: A van der Waals density-functional study
- (2014) E. Hazrati et al. PHYSICAL REVIEW B
- Density Functional Theory Calculations of Alkali Metal (Li, Na, and K) Graphite Intercalation Compounds
- (2013) Yasuharu Okamoto Journal of Physical Chemistry C
- First-principles study of alkali metal-graphite intercalation compounds
- (2013) Kunihiro Nobuhara et al. JOURNAL OF POWER SOURCES
- Lithium Intercalation into Graphitic Carbons Revisited: Experimental Evidence for Twisted Bilayer Behavior
- (2013) A. Senyshyn et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- Interlayer interactions in graphites
- (2013) Xiaobin Chen et al. Scientific Reports
- Materials for Rechargeable Lithium-Ion Batteries
- (2012) Cary M. Hayner et al. Annual Review of Chemical and Biomolecular Engineering
- Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals
- (2011) Noa Marom et al. Journal of Chemical Theory and Computation
- Effect of the damping function in dispersion corrected density functional theory
- (2011) Stefan Grimme et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Density functional theory with London dispersion corrections
- (2011) Stefan Grimme Wiley Interdisciplinary Reviews-Computational Molecular Science
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations
- (2010) Kristin Persson et al. PHYSICAL REVIEW B
- Nature and Strength of Interlayer Binding in Graphite
- (2009) Leonardo Spanu et al. PHYSICAL REVIEW LETTERS
- Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes
- (2009) Guillermo Román-Pérez et al. PHYSICAL REVIEW LETTERS
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now