Chiral carbon dots: synthesis and applications in circularly polarized luminescence, biosensing and biology
X Yan, H Zhao, K Zhang, Z Zhang, Y Chen… - …, 2023 - Wiley Online Library
Chiral carbon dots (CDs) are a novel luminescent zero‐dimensional carbon‐based
nanomaterial with chirality. They not only have the advantages of good biocompatibility …
nanomaterial with chirality. They not only have the advantages of good biocompatibility …
Multiscale computational modeling techniques in study and design of 2D materials: recent advances, challenges, and opportunities
This article provides an overview of recent advances, challenges, and opportunities in
multiscale computational modeling techniques for study and design of two-dimensional (2D) …
multiscale computational modeling techniques for study and design of two-dimensional (2D) …
Evolution of defect formation during atomically precise desulfurization of monolayer MoS2
Structural symmetry-breaking is a key strategy to modify the physical and chemical
properties of two-dimensional transition metal dichalcogenides. However, little is known …
properties of two-dimensional transition metal dichalcogenides. However, little is known …
INDEEDopt: a deep learning-based ReaxFF parameterization framework
Empirical interatomic potentials require optimization of force field parameters to tune
interatomic interactions to mimic ones obtained by quantum chemistry-based methods. The …
interatomic interactions to mimic ones obtained by quantum chemistry-based methods. The …
Effect of five typical vacancy defects on the tribological behaviors of MoS2 sheet: A molecular dynamics study
B Wei, N Kong, S Hu, J Zhang, H Zhu, D Li - Applied Surface Science, 2023 - Elsevier
The tribological behavior of the defective MoS 2 sheet has been investigated under different
normal loads by molecular dynamics simulations. Five typical vacancy defects have been …
normal loads by molecular dynamics simulations. Five typical vacancy defects have been …
Effect of the Substrate on MoS2 Monolayer Morphology: An Integrated Computational and Experimental Study
Synthesis of two-dimensional materials, specifically transition metal dichalcogenides
(TMDs), with controlled lattice orientations is a major barrier to their industrial applications …
(TMDs), with controlled lattice orientations is a major barrier to their industrial applications …
Adsorption of SF6 Decomposed Species on Ti3C2O2 and Ti3C2F2 with Point Defects by DFT Study
The high specific surface area and electrical conductivity of new 2D metal carbide MXenes
make them become a suitable candidate as sensor platform of the gas sensor. Herein …
make them become a suitable candidate as sensor platform of the gas sensor. Herein …
Confined Crack Propagation in MoS2 Monolayers by Creating Atomic Vacancies
In two-dimensional crystals, fractures propagate easily, thus restricting their mechanical
reliability. This work demonstrates that controlled defect creation constitutes an effective …
reliability. This work demonstrates that controlled defect creation constitutes an effective …
Molecular dynamics simulation on the buckling of single-layer MoS2 sheet with defects under uniaxial compression
The buckling behavior of a single layer MoS 2 (SLMoS 2) sheet with defects under uniaxial
compression is investigated with molecular simulation in the present paper. Five typical …
compression is investigated with molecular simulation in the present paper. Five typical …
Defects and grain boundary effects in MoS2: A molecular dynamics study
Z Islam, A Haque - Journal of Physics and Chemistry of Solids, 2021 - Elsevier
Mechanical properties of low-temperature large area chemical vapor deposited (CVD)
transition metal dichalcogenides such as MoS 2 are a function of crystallinity, which tends to …
transition metal dichalcogenides such as MoS 2 are a function of crystallinity, which tends to …