Journal ArticleDOI
Borophene: A promising anode material offering high specific capacity and high rate capability for lithium-ion batteries
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TLDR
In this article, the potential of borophene as an anode material for lithium-ion batteries was investigated, and it was found that borope has an adsorption energy to lithium atom of −1.12 eV, which is large enough to ensure a good lithium-borophene stability during the lithiation process.About:
This article is published in Nano Energy.The article was published on 2016-05-01. It has received 423 citations till now. The article focuses on the topics: Borophene & Anode.read more
Citations
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Borophene as a prototype for synthetic 2D materials development
TL;DR: Borophene combines unique mechanical properties with anisotropic metallicity, which complements the canon of conventional 2D materials and can serve as a prototype for ongoing efforts to discover and exploit synthetic2D materials.
Journal ArticleDOI
Recent advances in inorganic 2D materials and their applications in lithium and sodium batteries
Le Shi,Tianshou Zhao +1 more
TL;DR: In this paper, the challenges of employing 2D materials in these Li/Na-based batteries to improve performance are discussed and possible solutions are proposed, as well as possible solutions to the challenges.
Journal ArticleDOI
Emerging Applications of Elemental 2D Materials
Nicholas R. Glavin,Rahul Rao,Rahul Rao,Vikas Varshney,Elisabeth Bianco,Amey Apte,Ajit K. Roy,Emilie Ringe,Emilie Ringe,Pulickel M. Ajayan +9 more
TL;DR: A complete review of emerging applications in electronics, sensing, spintronics, plasmonics, photodetectors, ultrafast lasers, batteries, supercapacitors, and thermoelectrics is presented by application type, including detailed descriptions of how the material properties may be tailored toward each specific application.
Journal ArticleDOI
Two-dimensional boron: structures, properties and applications
TL;DR: This work presents how theory plays a role in extrapolating boron clusters into 2D form, from a freestanding state to that on substrates, as well as in exploring practical routes for their synthesis that recently culminated in experimental realization.
Journal ArticleDOI
Borophene as an extremely high capacity electrode material for Li-ion and Na-ion batteries.
Xiaoming Zhang,Xiaoming Zhang,Junping Hu,Yingchun Cheng,Hui Ying Yang,Yugui Yao,Shengyuan A. Yang +6 more
TL;DR: In this article, the authors used first-principles methods to predict that 2D borophene can serve as an ideal electrode material with high electrochemical performance for both Li-ion and Na-ion batteries.
References
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Journal ArticleDOI
Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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
Special points for brillouin-zone integrations
Hendrik J. Monkhorst,J.D. Pack +1 more
TL;DR: In this article, a method for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector is given, where the integration can be over the entire zone or over specified portions thereof.
Journal ArticleDOI
Ab initio molecular dynamics for liquid metals.
Georg Kresse,Jürgen Hafner +1 more
TL;DR: In this paper, the authors present an ab initio quantum-mechanical molecular-dynamics calculations based on the calculation of the electronic ground state and of the Hellmann-Feynman forces in the local density approximation.
Journal ArticleDOI
Issues and challenges facing rechargeable lithium batteries
TL;DR: A brief historical review of the development of lithium-based rechargeable batteries is presented, ongoing research strategies are highlighted, and the challenges that remain regarding the synthesis, characterization, electrochemical performance and safety of these systems are discussed.
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