Two-dimensional Janus transition-metal carbide for flexible anode through surface engineering
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F24%3A10479141" target="_blank" >RIV/00216208:11320/24:10479141 - isvavai.cz</a>
Alternative codes found
RIV/61989100:27740/24:10255630
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=iFPuvRhx-z" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=iFPuvRhx-z</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.apsusc.2024.159944" target="_blank" >10.1016/j.apsusc.2024.159944</a>
Alternative languages
Result language
angličtina
Original language name
Two-dimensional Janus transition-metal carbide for flexible anode through surface engineering
Original language description
Two-dimensional transition metal carbides (MXenes) have received tremendous attention because of their great promise in flexible energy storage. Although surface engineering plays an important role in regulating the properties of MXenes with the development of synthesis technology, an atomistic design of surface diversity for desired functionalities is generally limited by purely unified surface termination. Herein, the Janus MXenes consisting of different surface terminations are proposed for flexible anodes through first-principles calculations. Taking Ti2CTT' (T, T' = O, F, or OH) as an illustration of Janus MXenes, critical strains, ideal strengths, Li-ion diffusion barriers, equilibrium voltages, and theoretical capacities are determined and used as descriptors to evaluate the properties of flexible anodes. These Janus MXenes exhibit high critical strains and ideal strengths, indicating their mechanical flexibility. The strain-independent Li-ion diffusion barrier of Ti2COF suggests its fast Li-ion transport even suffering from mechanical deformation, endowing its application potential in flexible anodes. These results establish a theoretical framework for the comprehensive evaluation of flexible anode materials, providing a theoretical scheme for designing flexible anode materials.
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - 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.)
Result continuities
Project
<a href="/en/project/EH22_008%2F0004572" target="_blank" >EH22_008/0004572: Quantum materials for applications in sustainable technologies</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Applied Surface Science
ISSN
0169-4332
e-ISSN
1873-5584
Volume of the periodical
659
Issue of the periodical within the volume
červen
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
8
Pages from-to
159944
UT code for WoS article
001223410700001
EID of the result in the Scopus database
2-s2.0-85188546061