Layered materials with 2D connectivity for thermoelectric energy conversion
The current problems of decreasing fossil fuel reserves and the increasing pollution level
due to burning of these fossil fuels are expected to worsen in the future with ever increasing …
due to burning of these fossil fuels are expected to worsen in the future with ever increasing …
Asymmetric XMoSiN2 (X= S, Se, Te) monolayers as novel promising 2D materials for nanoelectronics and photovoltaics
RT Sibatov, RM Meftakhutdinov, AI Kochaev - Applied Surface Science, 2022 - Elsevier
In this paper, we study asymmetric 2D materials XMoSiN 2 constructed and optimized from
MoSi 2 N 4 by deleting SiN from one side and replacing remaining N atoms from the same …
MoSi 2 N 4 by deleting SiN from one side and replacing remaining N atoms from the same …
Workhorse minimally empirical dispersion-corrected density functional with tests for weakly bound systems:
SCAN+ rVV 10 has been demonstrated to be a versatile van der Waals (vdW) density
functional that delivers good predictions of both energetic and structural properties for many …
functional that delivers good predictions of both energetic and structural properties for many …
Acoustic cavities in 2D heterostructures
MK Zalalutdinov, JT Robinson, JJ Fonseca… - Nature …, 2021 - nature.com
Abstract Two-dimensional (2D) materials offer unique opportunities in engineering the
ultrafast spatiotemporal response of composite nanomechanical structures. In this work, we …
ultrafast spatiotemporal response of composite nanomechanical structures. In this work, we …
K-point longitudinal acoustic phonons are responsible for ultrafast intervalley scattering in monolayer MoSe2
S Bae, K Matsumoto, H Raebiger, K Shudo… - Nature …, 2022 - nature.com
In transition metal dichalcogenides, valley depolarization through intervalley carrier
scattering by zone-edge phonons is often unavoidable. Although valley depolarization …
scattering by zone-edge phonons is often unavoidable. Although valley depolarization …
Introduction to high-resolution inelastic x-ray scattering
AQR Baron - arXiv preprint arXiv:1504.01098, 2015 - arxiv.org
This paper reviews non-resonant, meV-resolution inelastic x-ray scattering (IXS), as applied
to the measurement of atomic dynamics of crystalline materials. It is designed to be an …
to the measurement of atomic dynamics of crystalline materials. It is designed to be an …
Tuning heat transport in graphene by tension
Heat transport by acoustic phonons in two-dimensional (2D) materials is fundamentally
different from that in 3D crystals because the out-of-plane phonons propagate in a unique …
different from that in 3D crystals because the out-of-plane phonons propagate in a unique …
Signatures of the Dichalcogenide–Gold Interaction in the Vibrational Spectra of MoS2 and MoSe2 on Au(111)
Various atomic structures for the interface between Au (111) and monolayers of MoS2 and
MoSe2 are investigated by means of first-principles calculations approximating van der …
MoSe2 are investigated by means of first-principles calculations approximating van der …
Phonon scattering in monolayer molybdenum disulfide under different defect concentrations based on temperature-dependent Raman spectra
Monolayer molybdenum disulfide (MoS2), among other two-dimensional transition-metal
dichalcogenides materials, is widely used in a broad range of industries due to its …
dichalcogenides materials, is widely used in a broad range of industries due to its …
Novel two-dimensional tetrahexagonal boron nitride with a sizable band gap and a sign-tunable Poisson's ratio
By performing first-principles calculations, a new two-dimensional (2D) boron nitride (th-BN)
with perfectly ordered arrangements of tetragonal and hexagonal rings is predicted to be …
with perfectly ordered arrangements of tetragonal and hexagonal rings is predicted to be …