Unlocking the intercalation mechanism of blue phosphorene/MBene heterostructures for lithium/sodium-ion batteries: a first principles study

H Lin, Y Zhang, Y Huang - Journal of Molecular Liquids, 2024 - Elsevier
Blue phosphorene (BlueP) is an exceptional anode material for metal-ion batteries (MIBs)
because of its fast ion diffusion and high capacity; nevertheless, the low electronic …

Metallic CoSb and Janus Co 2 AsSb monolayers as promising anode materials for metal-ion batteries

D Ahmed, N Muhammad, ZJ Ding - Physical Chemistry Chemical …, 2024 - pubs.rsc.org
Structural symmetry breaking plays a pivotal role in fine-tuning the properties of nano-
layered materials. Here, based on the first-principles approaches we propose a Janus …

First-principles study on the electrochemical properties of Na-ion-intercalatable heterostructures formed by transitional metal dichalcogenides and blue phosphorus

Q Zhou, L Sun, YJ Guo, B Zhou, C Zhang, S Xin… - Chinese Chemical …, 2024 - Elsevier
Extensive first-principles calculations have been performed to examine the electrochemical
properties of Na-ion-intercalatable heterostructures formed by transitional metal …

Very High-Capacity Li/Na-Ion battery anodes Enabled by Blue phosphorene and boron phosphide vdW heterostructure

I Shahid, X Zhang, N Muhammad, A Ali, I Ahmad… - Computational Materials …, 2025 - Elsevier
The fascinating features of van der Waals heterostructure (vdWH) based electrodes and
their potential to overcome the limiting properties of single-material systems have sparked a …

Black phosphorene/SnSe van der Waals heterostructure as a promising anchoring anode material for metal-ion batteries

D Ahmed, N Muhammad, ZJ Ding - Journal of Physics …, 2023 - iopscience.iop.org
Black phosphorene (BP) is a glowing two-dimensional semiconducting layer material for
cutting-edge microelectronics, with high carrier mobility and thickness-dependent band gap …

Black Phosphorus/V3C2 MXene Layered Heterostructure as a Sustainable Cathode Material for Li-Ion Battery: An Ab Initio Study

S Saharan, U Ghanekar, S Meena - The Journal of Physical …, 2023 - ACS Publications
Layered heterostructures have been recognized as next generation cathode materials for
ion batteries owing to their high mobility and ion loading capability. Herein, we report black …

Carrier mobility and broadband performance of two-dimensional Sb/SnSe van der Waals heterostructure: A first-principles study

D Ahmed, N Muhammad, ZJ Ding - Physica E: Low-dimensional Systems …, 2025 - Elsevier
Compared to single two-dimensional (2D) materials, stacking layered 2D materials with van
der Waals (vdW) heterostructures offers novel opportunities to achieve desired exotic …

Rational design of 2D blue phosphorene/Ti2BT2 (T= Se, Te) heterostructures as high-performance anode materials for alkali-metal ion batteries: A first principles …

G Zhang, J Peng, Y Zhang - Materials Science in Semiconductor …, 2024 - Elsevier
Blue phosphorene (BlueP) is extensively regarded as an attractive anode for the next
generation of metal-ion batteries (MIBs) owing to the rapid ion diffusion and high storage …

MXene-based Ti 2 C/Ta 2 C lateral heterostructure: an intrinsic room temperature ferromagnetic material with large magnetic anisotropy

S Özcan, B Biel - RSC advances, 2023 - pubs.rsc.org
Two-dimensional (2D) lateral heterostructures (LH) combining Ti2C and Ta2C MXenes were
investigated by means of first-principles calculations. Our structural and elastic properties …

Unraveling quantum capacitance of black phosphorene by the doping of non-metals for energy storage applications using DFT method

S Ahmad, M Imran, F Hussain, NA Niaz… - Surfaces and …, 2024 - Elsevier
Supercapacitor plays a pivotal role as energy storage devices in the context of eliminating
energy resources. Black Phosphorene (BP) is highly regarded as a potential electrode for …