Polarizability models for simulations of finite temperature Raman spectra from machine learning molecular dynamics

E Berger, HP Komsa - Physical Review Materials, 2024 - APS
Raman spectroscopy is a powerful and nondestructive method that is widely used to study
the vibrational properties of solids or molecules. Simulations of finite-temperature Raman …

Quantification of Two-Dimensional Interfaces: Quality of Heterostructures and What Is Inside a Nanobubble

M Mondal, P Manchanda, S Saha… - … Applied Materials & …, 2024 - ACS Publications
Trapped materials at the interfaces of two-dimensional heterostructures (HS) lead to
reduced coupling between the layers, resulting in degraded optoelectronic performance and …

Quantitative Correlation for Recoverable Monolayer MoS2 Gas Sensing Mechanism: A Fundamental Approach

TE Huang, HH Liu, CY Wang, BW Liang… - The Journal of …, 2023 - ACS Publications
Gas sensing research based on transition metal dichalcogenides (TMDs) suffers from
irrecoverable responses. Prior attempts to improve the recoverability, such as applying heat …

Effects of Extreme Ultraviolet Radiation on Transition Metal Dichalcogenides: Investigation of Physical and Electrical Properties

MY Kao, CH Hsu, YQ Huang, YC Hsu… - ACS Applied …, 2024 - ACS Publications
Transition metal dichalcogenides (TMDCs) have gained a lot of attention due to their
versatile applications in electronic and sensing devices. Furthermore, TMDCs are the …

Electron beam irradiation-induced atomically thin domes of two-dimensional materials: Graphene and MoS2

M Pandey, R Ahuja, R Kumar - Surfaces and Interfaces, 2024 - Elsevier
The local strain-induced indirect-to-direct band gap transition in bulk transition metal
dichalcogenides (TMDCs) holds great potential for optoelectronic applications. The …

Engineering Multicolor Radiative Centers in hBN Flakes by Varying the Electron Beam Irradiation Parameters

F Bianco, E Corte, S Ditalia Tchernij, J Forneris… - Nanomaterials, 2023 - mdpi.com
Recently, hBN has become an interesting platform for quantum optics due to the peculiar
defect-related luminescence properties. In this work, multicolor radiative emissions are …

Characterization of Monovacancy Defects in Vanadium Diselenide Monolayer: A DFT Study

AA Kistanov - Applied Sciences, 2024 - mdpi.com
Defects are an integral part of the structure of various two-dimensional materials (2D),
including 2D transition-metal dichalcogenides. These defects usually govern their electronic …

Tip-Enhanced Raman Spectroscopy of Monolayer MoS2 on Au(111)

H An, J Li, Y Liu, P Xu, S Han, Y Liu… - The Journal of …, 2024 - ACS Publications
Employing gap-mode plasmons in a scanning tunneling microscope junction, we studied tip-
enhanced Raman spectroscopy (TERS) of MoS2 on Au (111). We observed a mode …

First-Principles Simulation of Beam-Induced Processes Underlying Atomic Manipulation in Electron Microscopes

DB Lingerfelt, P Ganesh, J Jakowski… - Accounts of Materials …, 2024 - ACS Publications
Conspectus The development of experimental methods and apparatuses capable of
promoting atomically precise material manipulations holds great promise for realizing the …

On the unique temperature-dependent interplay of a B-exciton and its trion in monolayer MoSe 2

D Banswar, RR Sahu, R Srivatsava, MS Hassan… - Nanoscale, 2024 - pubs.rsc.org
Plasmonics in metal nanoparticles can enhance their near field optical interaction with
matter, promoting emission into selected optical modes. Here, using Ga nanoparticles with …