From DFT to machine learning: recent approaches to materials science–a review

GR Schleder, ACM Padilha, CM Acosta… - Journal of Physics …, 2019 - iopscience.iop.org
Recent advances in experimental and computational methods are increasing the quantity
and complexity of generated data. This massive amount of raw data needs to be stored and …

Synthesis, structure, properties and applications of MXenes: Current status and perspectives

RM Ronchi, JT Arantes, SF Santos - Ceramics International, 2019 - Elsevier
Researches on new 2D materials have been intensively performed over the years, strongly
motivated by graphene's outstanding properties. One of the most promising classes of 2D …

2D materials bridging experiments and computations for electro/photocatalysis

X Zhang, A Chen, L Chen… - Advanced Energy Materials, 2022 - Wiley Online Library
The exploration of catalysts for energy conversion lies at the center of sustainable
development. The combination of experimental and computational approaches can provide …

A synoptic review of MoS2: Synthesis to applications

U Krishnan, M Kaur, K Singh, M Kumar… - Superlattices and …, 2019 - Elsevier
Molybdenum disulphide is established as multi-functional and multi-utility material due to its
capability to display varying properties as it transforms from bulk to nanoscale. It has …

[HTML][HTML] MXenes: Acomprehensive review of synthesis, properties, and progress in supercapacitor applications

R Akhter, SS Maktedar - Journal of Materiomics, 2023 - Elsevier
MXenes, a class of two-dimensional materials, have garnered significant attention due to
their unique properties and versatile applications in various fields. This review provides a …

A bright future for engineering piezoelectric 2D crystals

PC Sherrell, M Fronzi, NA Shepelin… - Chemical Society …, 2022 - pubs.rsc.org
The piezoelectric effect, mechanical-to-electrical and electrical-to-mechanical energy
conversion, is highly beneficial for functional and responsive electronic devices. To fully …

Surface terminations of MXene: synthesis, characterization, and properties

M Tang, J Li, Y Wang, W Han, S Xu, M Lu, W Zhang… - Symmetry, 2022 - mdpi.com
MXene, 2D transition metal carbides, nitrides, and carbonitrides with a unique 2D structure,
inspired a series of function applications related to energy storage and conversion …

Recent advances on MXene-based hydrogels for antibacterial and drug delivery applications

SS Sana, M Santhamoorthy, R Haldar, CJ Raorane… - Process …, 2023 - Elsevier
MXene is a flexible, compositionally diversified, and multilayered two-dimensional (2D)
compound formed from surface-modified carbide. MXene is termed M n+ 1 X n T x, where M …

Metastable MoS2: Crystal Structure, Electronic Band Structure, Synthetic Approach and Intriguing Physical Properties

W Zhao, J Pan, Y Fang, X Che, D Wang… - … A European Journal, 2018 - Wiley Online Library
The 2H molybdenum disulfide (MoS2), as a stable hexagonal phase, has been one of the
most studied transition metal dichalcogenides over the past decades. In the last five years …

Transition-metal dihydride monolayers: a new family of two-dimensional ferromagnetic materials with intrinsic room-temperature half-metallicity

Q Wu, Y Zhang, Q Zhou, J Wang… - The Journal of Physical …, 2018 - ACS Publications
Two-dimensional (2D) ferromagnetic materials with intrinsic half-metallicity are highly
desirable for nanoscale spintronic applications. Here, we predict a new and stable family of …