Surface Electrochemical Stability and Strain-Tunable Lithium Storage of Highly Flexible 2D Transition Metal Carbides

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27740%2F18%3A10239999" target="_blank" >RIV/61989100:27740/18:10239999 - isvavai.cz</a>

Result on the web

<a href="https://onlinelibrary.wiley.com/doi/abs/10.1002/adfm.201804867" target="_blank" >https://onlinelibrary.wiley.com/doi/abs/10.1002/adfm.201804867</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/adfm.201804867" target="_blank" >10.1002/adfm.201804867</a>

Result language

angličtina

Original language name

Surface Electrochemical Stability and Strain-Tunable Lithium Storage of Highly Flexible 2D Transition Metal Carbides

Original language description

2D transition metal carbides and/or nitrides (MXenes) have attracted enormous attention because of their potential applications in energy storage, catalysis, and others. The control of surface terminations is generally believed to offer the potential preparation approaches to novel MXenes, while an external strain may provide solution to property modification. However, an atomistic understanding on the stabilization of surface complexity and the influence of strain on electrochemical properties of MXenes are scarce yet much demanded. Herein, taking Ti2CTn as a representative MXene, the thermodynamically favorable configurations are explored with a mixture of functional groups under various electrochemical environments. It predicts that five thermodynamically preferable Ti2CTn terminated by O Symbol of the Klingon Empire and F Symbol of the Klingon Empire cofunctionalized groups are discovered, all of which show excellent mechanical flexibility and strength that appear a decreasing trend as increasing F/O ratio. Further investigations on strain-controllable Li-transport of these cofunctionalized Ti2CT2 indicate that a mixture of surface terminations decreases the diffusion barriers, while the uniaxial strain modifies the diffusion pathways of Li atom owing to asymmetrical surface geometry and electronic polarization. These findings provide a view on the modification of properties by controlling surface complexity, demonstrating effective pathways in designing MXenes by electrochemical approach and tuning electrochemical property by strains.

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2018

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Advanced Functional Materials

ISSN

1616-301X

e-ISSN

—

Volume of the periodical

28

Issue of the periodical within the volume

44

Country of publishing house

DE - GERMANY

Number of pages

11

Pages from-to

—

UT code for WoS article

000450367700020

EID of the result in the Scopus database

—