| People | Locations | Statistics |
|---|---|---|
| Naji, M. |
| |
| Motta, Antonella |
| |
| Aletan, Dirar |
| |
| Mohamed, Tarek |
| |
| Ertürk, Emre |
| |
| Taccardi, Nicola |
| |
| Kononenko, Denys |
| |
| Petrov, R. H. | Madrid |
|
| Alshaaer, Mazen | Brussels |
|
| Bih, L. |
| |
| Casati, R. |
| |
| Muller, Hermance |
| |
| Kočí, Jan | Prague |
|
| Šuljagić, Marija |
| |
| Kalteremidou, Kalliopi-Artemi | Brussels |
|
| Azam, Siraj |
| |
| Ospanova, Alyiya |
| |
| Blanpain, Bart |
| |
| Ali, M. A. |
| |
| Popa, V. |
| |
| Rančić, M. |
| |
| Ollier, Nadège |
| |
| Azevedo, Nuno Monteiro |
| |
| Landes, Michael |
| |
| Rignanese, Gian-Marco |
|
Sajjad, Muhammad
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (10/10 displayed)
- 2024Superparamagnetic properties of metal-free nitrogen-doped graphene quantum dotscitations
- 2024Characterization of the heat transfer coefficient at near solidus forming condition using columnar pressing testcitations
- 2024V4C3 MXene: a Type-II Nodal Line Semimetal with Potential as High-Performing Anode Material for Mg-Ion Batterycitations
- 2023Understanding the Diffusion-Dominated Properties of MOF-Derived Ni–Co–Se/C on CuO Scaffold Electrode using Experimental and First Principle Studycitations
- 2023V4C3 MXene: a Type‐II Nodal Line Semimetal with Potential as High‐Performing Anode Material for Mg‐Ion Batterycitations
- 2022Theoretical Prediction and Thermal Transport Properties of Novel Monolayer TlPt<sub>2</sub>Se<sub>3</sub>citations
- 2020Epoxy Resin Nanocomposites: The Influence of Interface Modification on the Dispersion Structure—A Small-Angle-X-ray-Scattering Study
- 2018Triptycene as a supramolecular additive in PTB7:PCBM blends and its influence on photovoltaic propertiescitations
- 2017Quantum-corrected transient analysis of plasmonic nanostructurescitations
- 2013Large scale synthesis of single-crystal and polycrystalline boron nitride nanosheetscitations
Places of action
| Organizations | Location | People |
|---|
article
V4C3 MXene: a Type‐II Nodal Line Semimetal with Potential as High‐Performing Anode Material for Mg‐Ion Battery
Abstract
<jats:p>We have used density functional theory simulations to explore the topological characteristics of a new MXene‐like material, V4C3, and its oxide counterpart, assessing their potential as anode materials for Mg‐ion batteries. Our research reveals that V4C3 monolayer is a topological type‐II nodal line semimetal, protected by time reversal and spatial inversion symmetries. This type‐II nodal line is marked by unique drumhead‐like edge states that appear either inside or outside the loop circle, contingent upon the edge ending. Intriguingly, even with an increase in metallicity due to oxygen functionalization, the material’s topological features remain intact. Consequently, the monolayer has a topologically enhanced electrical conductivity that amplifies upon functionalization. During the charging phase, a remarkable storage concentration led to a peak specific capacity of 894.73 mAh.g‐1 for V4C3, which only descends to 789.33 mAh.g‐1 for V4C3O2. Upon comparison with V2C, V4C3 displays a significantly reduced specific capacity loss due to functionalization, demonstrating its superior electrochemical properties. Additionally, our computations show an average open‐circuit voltage of 0.54 V for V4C3 and 0.58 V for V4C3O2, with energy barriers for intercalation migration ranging between 0.29–0.63 eV. Our simulation results support V4C3 potential as an efficient anode material for Mg‐ion batteries.</jats:p>