![tert-Butyl N-[(2-chloropyridin-4-yl)methyl]carbamate structure](https://static.chemtradehub.com/structs/916/916210-27-0-9f95.webp "tert-Butyl N-[(2-chloropyridin-4-yl)methyl]carbamate structure")
tert-Butyl N-[(2-chloropyridin-4-yl)methyl]carbamate
CAS Number:
916210-27-0
Molecular Formula:
C11H15ClN2O2
Using nanotubes to study the phonon spectrum of two-dimensional materials
Literature Information
Publication Date
2019-02-06
DOI
10.1039/C9CP00052F
Impact Factor
3.676
Authors
Jesús Carrete, Vu Ngoc Tuoc, Georg K. H. Madsen
View Original
Abstract
We propose a convenient method to characterize the acoustic phonon branches of 2D monolayer materials using measurements of the infrared- and Raman-active vibrational modes of nanotubes. The relations we employ are derived from a symmetry analysis based directly on the line groups of nanotubes. We perform extensive ab initio calculations for the MoS2 monolayer and nanotubes to evaluate the method and illustrate all our results. Specifically, we show how the low-energy phonon transmission, a determining factor in thermal transport, can be easily and successfully reconstructed by this procedure.
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Source Journal
Physical Chemistry Chemical Physics
CiteScore:
5.5
Self-citation Rate:
10.3%
Articles per Year:
3036
Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
Recommended Compounds
![6-Benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3(2H)-one structure](https://static.chemtradehub.com/structs/909/909187-64-0-f54f.webp "6-Benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3(2H)-one structure")
6-Benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3(2H)-one
CAS Number:
909187-64-0
Molecular Formula:
C13H15N3O
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