Journal ArticleDOI
First-principles study of alkali metal-graphite intercalation compounds
TLDR
In this article, first principles for the alkali (Li, Na, K) metal-graphite intercalation compounds (AM-GICs) were carried out and it was determined that each GIC was energetically stable until the high alkali metal density LiC6 and KC8.About:
This article is published in Journal of Power Sources.The article was published on 2013-12-01. It has received 296 citations till now. The article focuses on the topics: Intercalation (chemistry) & Graphite.read more
Citations
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Journal ArticleDOI
Sodium-ion batteries: present and future
TL;DR: Current research on materials is summarized and discussed and future directions for SIBs are proposed to provide important insights into scientific and practical issues in the development of S IBs.
Journal ArticleDOI
From Lithium-Ion to Sodium-Ion Batteries: Advantages, Challenges, and Surprises.
TL;DR: This review provides a state-of-the art overview on the redox behavior of materials when used as electrodes in lithium-ion and sodium-ion batteries, respectively.
Journal ArticleDOI
Na-Ion Battery Anodes: Materials and Electrochemistry
TL;DR: Rapid progress has been made in NIB cathode materials, where layered metal oxides and polyanionic compounds exhibit encouraging results, and electrochemical intercalation of Na ions into reduced graphene oxide is applied for fabricating transparent conductors, demonstrating the great feasibility of Na ion interCalation for optical applications.
Journal ArticleDOI
An Initial Review of the Status of Electrode Materials for Potassium-Ion Batteries
TL;DR: In this paper, the status of room-temperature potassium-ion batteries is reviewed in light of recent concerns regarding the rising cost of lithium and the fact that room temperature sodium ion batteries have yet to be commercialized thus far.
Journal ArticleDOI
Carbon Anode Materials for Advanced Sodium-Ion Batteries
TL;DR: In this paper, the recent progress of the sodium storage performances of carbonaceous materials, including graphite, amorphous carbon, heteroatom-doped carbon, and biomass derived carbon, are presented and the related sodium storage mechanism is also summarized.
References
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Journal ArticleDOI
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
Journal ArticleDOI
Projector augmented-wave method
TL;DR: An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural way and can be used to treat first-row and transition-metal elements with affordable effort and provides access to the full wave function.
Journal ArticleDOI
VESTA: a three-dimensional visualization system for electronic and structural analysis
Koichi Momma,Fujio Izumi +1 more
TL;DR: VESTA as mentioned in this paper is a cross-platform program for visualizing both structural and volumetric data in multiple windows with tabs, including isosurfaces, bird's-eye views and two-dimensional maps.
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P2-type Nax[Fe1/2Mn1/2]O2 made from earth-abundant elements for rechargeable Na batteries
Naoaki Yabuuchi,Masataka Kajiyama,Junichi Iwatate,Heisuke Nishikawa,Shuji Hitomi,Ryoichi Okuyama,Ryo Usui,Yasuhiro Yamada,Shinichi Komaba +8 more
TL;DR: A new electrode material, P2-Na(2/3)[Fe(1/2)Mn( 1/2)]O(2), that delivers 190 mAh g(-1) of reversible capacity in the sodium cells with the electrochemically active Fe(3+)/Fe(4+) redox will contribute to the development of rechargeable batteries from the earth-abundant elements operable at room temperature.
Journal ArticleDOI
High Capacity Anode Materials for Rechargeable Sodium‐Ion Batteries
David Stevens,J. R. Dahn +1 more
TL;DR: In this article, the authors compare the results with those for lithium insertion in graphitic carbon anode materials and demonstrate the presence of similar alkali metal insertion mechanisms in both cases.