MXene: A Roadmap to Sustainable Energy Management, Synthesis Routes, Stabilization, and Economic Assessment

M Mim, K Habib, SN Farabi, SA Ali, MA Zaed… - ACS …, 2024 - ACS Publications
MXenes with their wide range of tunability and good surface chemistry provide unique and
distinctive characteristics offering potential employment in various aspects of energy …

Unveiling cutting-edge progress in the fundamentals of MXene: Synthesis strategies, energy and bio-environmental applications

I Gul, M Sayed, T Saeed, F Rehman, A Naeem… - Coordination Chemistry …, 2024 - Elsevier
Currently the world is facing a web of challenges, of which the most important are, energy
crisis, environmental pollution and health issues, worsened by the consumption of fossil …

N-Functionalized Ti2C MXene as a High-Performance Adsorbent for Strontium Ions: A First-Principles Study

K Qiu, Y Zhang, L Wang, M Wu, J Jin… - The Journal of Physical …, 2023 - ACS Publications
Radionuclide sequestration through adsorption technology has attracted much attention due
to its unique characteristics such as high removal efficiency, low cost, and ease of operation …

Pressure induced structural, electronic and optical properties of Sc2CBr2 MXene monolayer: a density functional approach

N Modi, Y Naik, SJ Khengar, DB Shah… - … and Theoretical Chemistry, 2024 - Elsevier
Current study theoretically examines the pressure induced structural stability, modulation in
bandgap, optical properties and work function of Sc 2 CBr 2 monolayer. The phonon …

First-principles study of electronic, optical properties, workfunction and quantum capacitance of Janus Hf2COT MXene

MZ Liu, XH Li, XH Cui, RZ Zhang, HL Cui - Vacuum, 2023 - Elsevier
Janus MXene is attracting more and more interest because of its special characteristics. The
electronic and optical properties, work function and quantum capacitance of Janus Hf 2 COT …

Tuning properties of binary functionalization of Sc2C MXenes for supercapacitor electrodes

H Kolavada, RS Shukla, PN Gajjar, SK Gupta - Journal of Power Sources, 2025 - Elsevier
Surface functionalization of two-dimensional (2D) materials like Sc 2 C MXenes offers a
promising avenue for tailoring their properties for various applications. At the same time …

Computational study based prediction of new photocatalysts for water splitting by systematic manipulation of MXene surfaces

S Shaw, S Ghosh - Journal of Materials Chemistry C, 2024 - pubs.rsc.org
The compositional and structural flexibility of functionalised two-dimensional metal
carbonitrides or MXenes has been exploited through a combinatorial search for new …

Exploring the large chemical space in search of thermodynamically stable and mechanically robust MXenes via machine learning

J Park, M Kim, H Kim, J Lee, I Lee, H Park… - Physical Chemistry …, 2024 - pubs.rsc.org
To effectively utilize MXenes, a family of two-dimensional materials, in various applications
that include thermoelectric devices, semiconductors, and transistors, their thermodynamic …

Quantum capacitance, electronic and optical properties of Janus Sc2CXY (X= O, S, se, Te; Y= F, cl, Br, I) MXenes: First-principle investigation

RZ Zhang, H Ding, XH Li, HL Cui - Journal of Energy Storage, 2025 - Elsevier
Janus MXenes with asymmetrical surface-functionalized groups are widely used in
electronic devices and energy storage field. The quantum capacitance, electronic and …

Theoretical Studies on Structural, Electronic, Piezoelectric, and Optical Properties of Janus Sc2CXY (X ≠ Y, X/Y = F, Cl, Br, and I) MXenes

Y Wang, N Hu, Q Zhang, Y Ma, R Huang… - Journal of Electronic …, 2024 - Springer
Using first-principles calculations, the structural, electronic, piezoelectric, and optical
properties of Janus Sc2CXY (X≠ Y, X/Y= F, Cl, Br, and I) MXenes were comprehensively …